6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one

C18H16O4 — CID 688974

IUPAC6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3oc2=O)cc1
InChIInChI=1S/C18H16O4/c1-11-15-10-14(21-3)8-9-16(15)22-18(19)17(11)12-4-6-13(20-2)7-5-12/h4-10H,1-3H3
InChIKeyRFKYCUZYUASZBI-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.79
Rot. Bonds3

About 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one

6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one (PubChem CID 688974) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one
PubChem CID688974
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3oc2=O)cc1
InChIInChI=1S/C18H16O4/c1-11-15-10-14(21-3)8-9-16(15)22-18(19)17(11)12-4-6-13(20-2)7-5-12/h4-10H,1-3H3
InChIKeyRFKYCUZYUASZBI-UHFFFAOYSA-N
XLogP3.79
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Eugenyl benzoate
CID 62362
6-Methoxyflavone
CID 147157
Diethylstilbestrol Dipropionate
CID 657220
p-CRESYL PHENYLACETATE
CID 60997
3'-Methoxyflavone
CID 619834
p-Tolyl laurate
CID 61434
2-Methoxy-4-prop-1-enylphenyl phenylacetate
CID 61047
p-Cresol benzoate
CID 11962
6-Methoxycoumarin
CID 11240776
Eugenyl phenylacetate
CID 25238
6,3'-Dimethoxyflavone
CID 676293
3-Tolyl phenylacetate
CID 67146

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one (CID 688974) is 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one is COc1ccc(-c2c(C)c3cc(OC)ccc3oc2=O)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one?
The InChIKey is RFKYCUZYUASZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-15-10-14(21-3)8-9-16(15)22-18(19)17(11)12-4-6-13(20-2)7-5-12/h4-10H,1-3H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one?
6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one has a molecular weight of 296.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one is sourced from PubChem (CID 688974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).