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

C18H16O5 — CID 628528

IUPAC3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1
InChIInChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3
InChIKeyUKWLNMIPRJLYGH-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.49
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one (PubChem CID 628528) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
PubChem CID628528
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1
InChIInChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3
InChIKeyUKWLNMIPRJLYGH-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one (CID 628528) is 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one is COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
The InChIKey is UKWLNMIPRJLYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one?
3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-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 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 628528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).