3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol

C10H12O2 — CID 150777752

IUPAC3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol
SMILESOCC=Cc1cccc(CO)c1
InChIInChI=1S/C10H12O2/c11-6-2-5-9-3-1-4-10(7-9)8-12/h1-5,7,11-12H,6,8H2
InChIKeyKBFGYHKTEVLNBV-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.18
Rot. Bonds3

About 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol

3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol (PubChem CID 150777752) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol
PubChem CID150777752
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol
SMILESOCC=Cc1cccc(CO)c1
InChIInChI=1S/C10H12O2/c11-6-2-5-9-3-1-4-10(7-9)8-12/h1-5,7,11-12H,6,8H2
InChIKeyKBFGYHKTEVLNBV-UHFFFAOYSA-N
XLogP1.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-prop-1-enylphenyl)methanol
CID 73411411
[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol
CID 173153932
3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid
CID 169453778
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
[3-(2-aminoprop-1-enyl)phenyl]methanol
CID 130119869
[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol
CID 171107503
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
tert-butyl N-[[3-(3-hydroxyprop-1-enyl)phenyl]methyl]carbamate
CID 169454210
tert-butyl N-[4-[3-(hydroxymethyl)phenyl]but-3-enyl]carbamate
CID 170490056
3-(3-ethylsulfanylphenyl)prop-2-en-1-ol
CID 169453161
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol (CID 150777752) is 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol is OCC=Cc1cccc(CO)c1.
What is the InChIKey of 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The InChIKey is KBFGYHKTEVLNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-6-2-5-9-3-1-4-10(7-9)8-12/h1-5,7,11-12H,6,8H2.
What are the key properties of 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol?
3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol has a molecular weight of 164.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 150777752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).