2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol

C10H12O2 — CID 10313264

IUPAC2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1cccc(O)c1CO
InChIInChI=1S/C10H12O2/c1-2-4-8-5-3-6-10(12)9(8)7-11/h2-6,11-12H,7H2,1H3/b4-2+
InChIKeyXHLFAURCAXYYLH-DUXPYHPUSA-N
MW164.20 g/mol
LogP1.92
Rot. Bonds2

About 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol

2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol (PubChem CID 10313264) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol
PubChem CID10313264
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1cccc(O)c1CO
InChIInChI=1S/C10H12O2/c1-2-4-8-5-3-6-10(12)9(8)7-11/h2-6,11-12H,7H2,1H3/b4-2+
InChIKeyXHLFAURCAXYYLH-DUXPYHPUSA-N
XLogP1.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol?
The IUPAC name of 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol (CID 10313264) is 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol is C/C=C/c1cccc(O)c1CO.
What is the InChIKey of 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol?
The InChIKey is XHLFAURCAXYYLH-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-4-8-5-3-6-10(12)9(8)7-11/h2-6,11-12H,7H2,1H3/b4-2+.
What are the key properties of 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol?
2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol has a molecular weight of 164.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol is sourced from PubChem (CID 10313264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).