[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol

C11H12O2 — CID 67687070

IUPAC[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol
SMILESCC#Cc1ccc(CO)c(CO)c1
InChIInChI=1S/C11H12O2/c1-2-3-9-4-5-10(7-12)11(6-9)8-13/h4-6,12-13H,7-8H2,1H3
InChIKeySWASDRJALONVQM-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.04
Rot. Bonds2

About [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol

[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol (PubChem CID 67687070) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol
PubChem CID67687070
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol
SMILESCC#Cc1ccc(CO)c(CO)c1
InChIInChI=1S/C11H12O2/c1-2-3-9-4-5-10(7-12)11(6-9)8-13/h4-6,12-13H,7-8H2,1H3
InChIKeySWASDRJALONVQM-UHFFFAOYSA-N
XLogP1.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol (CID 67687070) is [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol is CC#Cc1ccc(CO)c(CO)c1.
What is the InChIKey of [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol?
The InChIKey is SWASDRJALONVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-3-9-4-5-10(7-12)11(6-9)8-13/h4-6,12-13H,7-8H2,1H3.
What are the key properties of [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol?
[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol has a molecular weight of 176.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol is sourced from PubChem (CID 67687070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).