[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methanol

HCID 22057748

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Basic information

CAS: 957205-23-1
Standard SMILES: OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIKey: XIRMFYAEMKQCRT-UHFFFAOYSA-N
Molecular formula: C14H17F3O
Average molar mass: 258.28 g/mol

Names & identifiers

Preferred name: [4-Cyclohexyl-3-(trifluoromethyl)phenyl]methanol
IUPAC: [4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol
English name: Benzenemethanol, 4-cyclohexyl-3-(trifluoromethyl)-
Molecular formula: C14H17F3O
Molecular weight: 258.28

Names & synonyms

[4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol957205-23-1MFCD30802519(4-Cyclohexyl-3-(trifluoromethyl)phenyl)methanolSCHEMBL38464734-Cyclohexyl-3-(trifluoromethyl)benzyl AlcoholSB18107BS-43191SY249420CS-0056821(4-cyclohexyl-3-trifluoromethyl-phenyl)-methanol4-Cyclohexyl-

Show more names

SIPO-0084-Cyclohexyl-3-(trifluoromethyl)-benzenemethanolBenzenemethanol, 4-cyclohexyl-3-(trifluoromethyl)-[4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol - [C88075]

(4-cyclohexyl-3-trifluoromethylphenyl)methanol7Q6YH5MY5CSCHEMBL27876622SCHEMBL30418848XIRMFYAEMKQCRT-UHFFFAOYSA-NXIRMFYAEMKQCRT-UHFFFAOYSA-ODB-2148924-Cyclohexyl-3-trifluoromethylbenzyl alcohol

Database identifiers

CAS: 957205-23-1
PubChem CID: 22057748
UNII: 7Q6YH5MY5C

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 258

Physicochemical properties

Boiling point: 323.6 · 323.6±37.0 °C(Predicted)
Density: 1.184 · 1.184±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 14.15 · 14.15±0.10(Predicted)
Appearance: colorless liquid
InChI: InChI=1S/C14H17F3O/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11,18H,1-5,9H2
InChIKey: XIRMFYAEMKQCRT-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(C2CCCCC2)C(C(F)(F)F)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H335-H312-H315-H332
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H335-H312-H315-H332
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501