3-[4-(3-Hydroxyphenyl)hexan-3-yl]phenol

HCID 100424

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 68266-24-0
Standard SMILES: CCC(c1cccc(O)c1)C(CC)c1cccc(O)c1
InChIKey: KUJAWCSIKNKXLL-UHFFFAOYSA-N
Molecular formula: C18H22O2
Average molar mass: 270.4 g/mol
Monoisotopic mass: 270.16197994

Names & identifiers

Preferred name: 3-[4-(3-Hydroxyphenyl)hexan-3-yl]phenol
IUPAC: 3-[4-(3-hydroxyphenyl)hexan-3-yl]phenol

Names & synonyms

68266-24-01,2-Diethyl-1,2-bis(3'-hydroxyphenyl)ethaneNSC-2971703-[4-(3-hydroxyphenyl)hexan-3-yl]phenolNSC 297170CHEMBL18268SCHEMBL5014485DTXSID909877953,3'-(Hexane-3,4-diyl)diphenolNSC297170NSC366211PD181164

Show more names

Phenol,3'-(1,2-diethyl-1,2-ethanediyl)bis-Phenol, 3,3'-(1,2-diethyl-1,2-ethanediyl)bis-

Database identifiers

CAS: 68266-24-0
PubChem CID: 100424
DTXSID: DTXSID90987795
ChEMBL: CHEMBL18268
Nikkaji: J275.273E

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 251

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…