7-benzoyl-3-methoxychromen-2-one

C17H12O4 — CID 174796943

IUPAC7-benzoyl-3-methoxychromen-2-one
SMILESCOc1cc2ccc(C(=O)c3ccccc3)cc2oc1=O
InChIInChI=1S/C17H12O4/c1-20-15-9-12-7-8-13(10-14(12)21-17(15)19)16(18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeySMWRVNOAWBENKC-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.03
Rot. Bonds3

About 7-benzoyl-3-methoxychromen-2-one

7-benzoyl-3-methoxychromen-2-one (PubChem CID 174796943) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 7-benzoyl-3-methoxychromen-2-one.

Molecular Properties

Compound Name7-benzoyl-3-methoxychromen-2-one
PubChem CID174796943
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name7-benzoyl-3-methoxychromen-2-one
SMILESCOc1cc2ccc(C(=O)c3ccccc3)cc2oc1=O
InChIInChI=1S/C17H12O4/c1-20-15-9-12-7-8-13(10-14(12)21-17(15)19)16(18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeySMWRVNOAWBENKC-UHFFFAOYSA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.03
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

carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
N-[4-(6,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]benzenesulfonamide
CID 45276631
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
[(Z)-[1-(7-benzoyl-2-oxochromen-3-yl)-2-fluoroethylidene]amino] N,N-diethylcarbamate
CID 155358924
3-benzoyl-7-[di(propan-2-yl)amino]chromen-2-one
CID 166512537
5-benzoyl-2-methoxybenzenesulfonoperoxoic acid
CID 18779398
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
(7-amino-2-oxochromen-3-yl) acetate
CID 141051304
(7-chloro-2-oxochromen-3-yl) acetate
CID 118378743
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
6,7-dimethoxychromen-2-one
CID 159563577
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-3-methoxychromen-2-one?
The IUPAC name of 7-benzoyl-3-methoxychromen-2-one (CID 174796943) is 7-benzoyl-3-methoxychromen-2-one.
What is the SMILES notation for 7-benzoyl-3-methoxychromen-2-one?
The canonical SMILES for 7-benzoyl-3-methoxychromen-2-one is COc1cc2ccc(C(=O)c3ccccc3)cc2oc1=O.
What is the InChIKey of 7-benzoyl-3-methoxychromen-2-one?
The InChIKey is SMWRVNOAWBENKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-20-15-9-12-7-8-13(10-14(12)21-17(15)19)16(18)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 7-benzoyl-3-methoxychromen-2-one?
7-benzoyl-3-methoxychromen-2-one has a molecular weight of 280.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-3-methoxychromen-2-one is sourced from PubChem (CID 174796943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).