2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one

C15H14O3 — CID 10633905

IUPAC2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one
SMILESCOc1ccccc(-c2cccc(CO)c2)c1=O
InChIInChI=1S/C15H14O3/c1-18-14-8-3-2-7-13(15(14)17)12-6-4-5-11(9-12)10-16/h2-9,16H,10H2,1H3
InChIKeyMQYOHZKZPBCIEH-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.21
Rot. Bonds3

About 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one

2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one (PubChem CID 10633905) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one
PubChem CID10633905
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one
SMILESCOc1ccccc(-c2cccc(CO)c2)c1=O
InChIInChI=1S/C15H14O3/c1-18-14-8-3-2-7-13(15(14)17)12-6-4-5-11(9-12)10-16/h2-9,16H,10H2,1H3
InChIKeyMQYOHZKZPBCIEH-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one 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

5-[3-(hydroxymethyl)phenyl]-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10804303
[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol
CID 176513454
3-[3-(hydroxymethyl)phenyl]-2-methoxybenzoic acid
CID 53225350
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022
2-hydroxy-5-[3-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 59599926
[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
CID 175266062
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 69154835
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
5-(hydroxymethyl)-8-[3-(hydroxymethyl)phenyl]-7-methoxy-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69453793
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one (CID 10633905) is 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one is COc1ccccc(-c2cccc(CO)c2)c1=O.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one?
The InChIKey is MQYOHZKZPBCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-14-8-3-2-7-13(15(14)17)12-6-4-5-11(9-12)10-16/h2-9,16H,10H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one?
2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one has a molecular weight of 242.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]-7-methoxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 10633905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).