CAS 1616-51-9 3-(Allyloxy)phenol (HCID 5314152)

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Basic information

CAS: 1616-51-9
Standard SMILES: C=CCOc1cccc(O)c1
InChIKey: FFNZRKNDZQVLMX-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: 3-(Allyloxy)phenol
IUPAC: 3-prop-2-enoxyphenol

Names & synonyms

3-(ALLYLOXY)PHENOL1616-51-93-Allyloxyphenolghl.PD_Mitscher_leg0.155resorcinol monoallyl etherSCHEMBL483058CHEMBL2271217DTXSID90415629FFNZRKNDZQVLMX-UHFFFAOYSA-N3-[(Prop-2-en-1-yl)oxy]phenolAKOS009317378DA-19921

Show more names

F97697

Database identifiers

CAS: 1616-51-9
PubChem CID: 5314152
DTXSID: DTXSID90415629
ChEMBL: CHEMBL2271217
Nikkaji: J1.835.679A

Properties

Computed structural propertiesFilling in

XLogP: 2.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 123

Related reactions

8 records

New reaction record

HRID 246902As productuspto-grants-1987_11

HRID 246906As reactantuspto-grants-1987_11

HRID 342785As reactantuspto-grants-1999_01

HRID 937833As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1370830As productuspto-grants-2003_06

HRID 1370831As reactantuspto-grants-2003_06

HRID 1561333As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2326110As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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