7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one

C19H16O6 — CID 154947659

IUPAC7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one
SMILESCOc1ccc(C(=O)c2cc3ccc(OC)c(OC)c3oc2=O)cc1
InChIInChI=1S/C19H16O6/c1-22-13-7-4-11(5-8-13)16(20)14-10-12-6-9-15(23-2)18(24-3)17(12)25-19(14)21/h4-10H,1-3H3
InChIKeyBDKPXPHSSLSIOL-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.05
Rot. Bonds5

About 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one

7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one (PubChem CID 154947659) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one.

Molecular Properties

Compound Name7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one
PubChem CID154947659
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one
SMILESCOc1ccc(C(=O)c2cc3ccc(OC)c(OC)c3oc2=O)cc1
InChIInChI=1S/C19H16O6/c1-22-13-7-4-11(5-8-13)16(20)14-10-12-6-9-15(23-2)18(24-3)17(12)25-19(14)21/h4-10H,1-3H3
InChIKeyBDKPXPHSSLSIOL-UHFFFAOYSA-N
XLogP3.05
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butoxybenzoyl)-8-methoxychromen-2-one
CID 53353118
3-(4-bromobenzoyl)-6-methoxychromen-2-one
CID 141458884
(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 155803415
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
[8-acetyloxy-3-(4-methoxyphenyl)-2-oxochromen-7-yl] acetate
CID 23371939
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032
8-ethyl-7-methoxy-2-oxochromene-3-carboxylic acid
CID 87272074
6-bromo-3-(6-bromo-8-methoxy-2-oxochromene-3-carbonyl)-8-methoxychromen-2-one
CID 12002444
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
[6-(4-methoxybenzoyl)pyren-1-yl]-(4-methoxyphenyl)methanone
CID 23069530
3-(7-methoxy-2-oxochromene-3-carbonyl)benzenesulfonyl fluoride
CID 21217318
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one?
The IUPAC name of 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one (CID 154947659) is 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one.
What is the SMILES notation for 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one?
The canonical SMILES for 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one is COc1ccc(C(=O)c2cc3ccc(OC)c(OC)c3oc2=O)cc1.
What is the InChIKey of 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one?
The InChIKey is BDKPXPHSSLSIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-22-13-7-4-11(5-8-13)16(20)14-10-12-6-9-15(23-2)18(24-3)17(12)25-19(14)21/h4-10H,1-3H3.
What are the key properties of 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one?
7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one has a molecular weight of 340.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-(4-methoxybenzoyl)chromen-2-one is sourced from PubChem (CID 154947659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).