2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol

C13H14N2O2 — CID 70276529

IUPAC2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol
SMILESC=CC(c1cnc[nH]1)c1cccc(CO)c1O
InChIInChI=1S/C13H14N2O2/c1-2-10(12-6-14-8-15-12)11-5-3-4-9(7-16)13(11)17/h2-6,8,10,16-17H,1,7H2,(H,14,15)
InChIKeyUSMUVDROYOXWQV-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.93
Rot. Bonds4

About 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol

2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol (PubChem CID 70276529) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol
PubChem CID70276529
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol
SMILESC=CC(c1cnc[nH]1)c1cccc(CO)c1O
InChIInChI=1S/C13H14N2O2/c1-2-10(12-6-14-8-15-12)11-5-3-4-9(7-16)13(11)17/h2-6,8,10,16-17H,1,7H2,(H,14,15)
InChIKeyUSMUVDROYOXWQV-UHFFFAOYSA-N
XLogP1.93
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1H-imidazol-5-yl)prop-2-enyl]-3-prop-2-enylbenzoic acid
CID 67898364
[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol
CID 14950643
3-[3-[(1S)-1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]propanoic acid
CID 154036671
5-[1-(1H-imidazol-5-yl)prop-2-enyl]-2H-tetrazole
CID 67833719
1H-imidazol-5-yl(naphthalen-1-yl)methanol
CID 10376336
prop-2-enyl 3-[1-(1H-imidazol-5-yl)prop-2-enyl]benzoate
CID 70359763
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
1-chloro-1-[2-hydroxy-3-(hydroxymethyl)phenyl]propan-2-one
CID 130925789
ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate
CID 23053722
[3-[(1S)-1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methyl 3-methylbutanoate
CID 56942165
2-chloro-6-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol
CID 91110726
1-(1H-imidazol-5-yl)ethane-1,2-diol
CID 54365092

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol?
The IUPAC name of 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol (CID 70276529) is 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol is C=CC(c1cnc[nH]1)c1cccc(CO)c1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol?
The InChIKey is USMUVDROYOXWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-10(12-6-14-8-15-12)11-5-3-4-9(7-16)13(11)17/h2-6,8,10,16-17H,1,7H2,(H,14,15).
What are the key properties of 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol?
2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol has a molecular weight of 230.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)prop-2-enyl]phenol is sourced from PubChem (CID 70276529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).