6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one

C15H16O5 — CID 118359993

IUPAC6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
SMILESCOc1cc2cccc(CO)c(=O)c2c(OC)c1OC
InChIInChI=1S/C15H16O5/c1-18-11-7-9-5-4-6-10(8-16)13(17)12(9)15(20-3)14(11)19-2/h4-7,16H,8H2,1-3H3
InChIKeyHLIHLORNOXJBLS-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.72
Rot. Bonds4

About 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one

6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one (PubChem CID 118359993) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
PubChem CID118359993
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
SMILESCOc1cc2cccc(CO)c(=O)c2c(OC)c1OC
InChIInChI=1S/C15H16O5/c1-18-11-7-9-5-4-6-10(8-16)13(17)12(9)15(20-3)14(11)19-2/h4-7,16H,8H2,1-3H3
InChIKeyHLIHLORNOXJBLS-UHFFFAOYSA-N
XLogP1.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-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

2,3,4-trimethoxybenzo[8]annulene-5,6-dione
CID 71411380
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
1,2,3,8-tetramethoxynaphthalene
CID 91328449
[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
CID 44578876
5-methoxybenzo[c]phenanthrene
CID 621003
8-hydroxy-1,2,3-trimethoxybenzo[a]anthracene-7,12-dione
CID 11175958
(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
CID 172703770
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
CID 176586497
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one?
The IUPAC name of 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one (CID 118359993) is 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one.
What is the SMILES notation for 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one?
The canonical SMILES for 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one is COc1cc2cccc(CO)c(=O)c2c(OC)c1OC.
What is the InChIKey of 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one?
The InChIKey is HLIHLORNOXJBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-18-11-7-9-5-4-6-10(8-16)13(17)12(9)15(20-3)14(11)19-2/h4-7,16H,8H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one?
6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one has a molecular weight of 276.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one is sourced from PubChem (CID 118359993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).