4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one

C18H16O5 — CID 46879082

IUPAC4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
SMILESCOc1ccc2c(-c3ccc(OC)c(OC)c3)cc(=O)oc2c1
InChIInChI=1S/C18H16O5/c1-20-12-5-6-13-14(10-18(19)23-16(13)9-12)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3
InChIKeyAAHILKARUXRHIK-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.49
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one

4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one (PubChem CID 46879082) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
PubChem CID46879082
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
SMILESCOc1ccc2c(-c3ccc(OC)c(OC)c3)cc(=O)oc2c1
InChIInChI=1S/C18H16O5/c1-20-12-5-6-13-14(10-18(19)23-16(13)9-12)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3
InChIKeyAAHILKARUXRHIK-UHFFFAOYSA-N
XLogP3.49
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-2-one
CID 45276754
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
7-methoxy-4-[5-(2-methoxyphenyl)thiophen-2-yl]chromen-2-one
CID 135265439
4-(3-methoxyphenyl)chromen-2-one
CID 10538749
4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one
CID 45276755
7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one
CID 57040654
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
4-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylmethyl]-7-methoxychromen-2-one
CID 52950059
[4-(4-methoxyphenyl)-2-oxochromen-7-yl] 2,4-dichlorobenzoate
CID 2271814

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one (CID 46879082) is 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one is COc1ccc2c(-c3ccc(OC)c(OC)c3)cc(=O)oc2c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one?
The InChIKey is AAHILKARUXRHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-12-5-6-13-14(10-18(19)23-16(13)9-12)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one?
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one has a molecular weight of 312.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one is sourced from PubChem (CID 46879082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).