3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one

C16H14O5 — CID 171935993

IUPAC3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
SMILESCOc1c(O)cc(C)c2c1oc(=O)c1cccc(OC)c12
InChIInChI=1S/C16H14O5/c1-8-7-10(17)14(20-3)15-12(8)13-9(16(18)21-15)5-4-6-11(13)19-2/h4-7,17H,1-3H3
InChIKeyXAJSGZNQNREMAA-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.98
Rot. Bonds2

About 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one

3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one (PubChem CID 171935993) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
PubChem CID171935993
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
SMILESCOc1c(O)cc(C)c2c1oc(=O)c1cccc(OC)c12
InChIInChI=1S/C16H14O5/c1-8-7-10(17)14(20-3)15-12(8)13-9(16(18)21-15)5-4-6-11(13)19-2/h4-7,17H,1-3H3
InChIKeyXAJSGZNQNREMAA-UHFFFAOYSA-N
XLogP2.98
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-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

1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione
CID 11198778
1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one
CID 171935988
5,13-dihydroxy-6,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
CID 163073000
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
5-methoxy-4-methylchromen-2-one
CID 11286956
3-fluoro-8-methoxy-4-methylchromen-2-one
CID 164597480
3,4,5-trimethoxychromen-2-one
CID 19930053
1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde
CID 71485237
2-(4-hydroxy-8-methoxy-2-oxochromen-3-yl)-6-methoxyfuro[3,2-c]chromen-4-one
CID 58668704

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one?
The IUPAC name of 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one (CID 171935993) is 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one is COc1c(O)cc(C)c2c1oc(=O)c1cccc(OC)c12.
What is the InChIKey of 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one?
The InChIKey is XAJSGZNQNREMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-8-7-10(17)14(20-3)15-12(8)13-9(16(18)21-15)5-4-6-11(13)19-2/h4-7,17H,1-3H3.
What are the key properties of 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one?
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one has a molecular weight of 286.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 171935993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).