2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one

C18H18O5 — CID 2922801

IUPAC2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1ccc(OC)c(OC)c1)O2
InChIInChI=1S/C18H18O5/c1-20-12-5-7-15-13(9-12)14(19)10-17(23-15)11-4-6-16(21-2)18(8-11)22-3/h4-9,17H,10H2,1-3H3
InChIKeyKYRMOZFTJMQBFZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.42
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one

2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 2922801) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID2922801
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1ccc(OC)c(OC)c1)O2
InChIInChI=1S/C18H18O5/c1-20-12-5-7-15-13(9-12)14(19)10-17(23-15)11-4-6-16(21-2)18(8-11)22-3/h4-9,17H,10H2,1-3H3
InChIKeyKYRMOZFTJMQBFZ-UHFFFAOYSA-N
XLogP3.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674030
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673668
6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114672657
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
2-(3,4-dimethoxyphenyl)-6,8-dimethoxy-2,3-dihydro-1,5-benzodioxepin-4-one
CID 10872101
(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 102145698
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one (CID 2922801) is 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)CC(c1ccc(OC)c(OC)c1)O2.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is KYRMOZFTJMQBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-12-5-7-15-13(9-12)14(19)10-17(23-15)11-4-6-16(21-2)18(8-11)22-3/h4-9,17H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one?
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 314.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 2922801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).