3-methoxy-4-methylbenzo[c]chromen-6-one

C15H12O3 — CID 681437

IUPAC3-methoxy-4-methylbenzo[c]chromen-6-one
SMILESCOc1ccc2c(oc(=O)c3ccccc32)c1C
InChIInChI=1S/C15H12O3/c1-9-13(17-2)8-7-11-10-5-3-4-6-12(10)15(16)18-14(9)11/h3-8H,1-2H3
InChIKeyVNVPOJFTGUIDIG-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.26
Rot. Bonds1

About 3-methoxy-4-methylbenzo[c]chromen-6-one

3-methoxy-4-methylbenzo[c]chromen-6-one (PubChem CID 681437) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methoxy-4-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-methoxy-4-methylbenzo[c]chromen-6-one
PubChem CID681437
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-methoxy-4-methylbenzo[c]chromen-6-one
SMILESCOc1ccc2c(oc(=O)c3ccccc32)c1C
InChIInChI=1S/C15H12O3/c1-9-13(17-2)8-7-11-10-5-3-4-6-12(10)15(16)18-14(9)11/h3-8H,1-2H3
InChIKeyVNVPOJFTGUIDIG-UHFFFAOYSA-N
XLogP3.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
3-(2-chloroprop-2-enoxy)-4-methylbenzo[c]chromen-6-one
CID 2062930
4-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzo[c]chromen-6-one
CID 2277386
7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 800958
5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate
CID 7001864
(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 6851445
N-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-4-methylbenzenesulfonamide
CID 102381034
(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetic acid
CID 1188203
8-methoxy-4-methyl-3-phenacyloxybenzo[c]chromen-6-one
CID 2185542
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4911936

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylbenzo[c]chromen-6-one?
The IUPAC name of 3-methoxy-4-methylbenzo[c]chromen-6-one (CID 681437) is 3-methoxy-4-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 3-methoxy-4-methylbenzo[c]chromen-6-one?
The canonical SMILES for 3-methoxy-4-methylbenzo[c]chromen-6-one is COc1ccc2c(oc(=O)c3ccccc32)c1C.
What is the InChIKey of 3-methoxy-4-methylbenzo[c]chromen-6-one?
The InChIKey is VNVPOJFTGUIDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-9-13(17-2)8-7-11-10-5-3-4-6-12(10)15(16)18-14(9)11/h3-8H,1-2H3.
What are the key properties of 3-methoxy-4-methylbenzo[c]chromen-6-one?
3-methoxy-4-methylbenzo[c]chromen-6-one has a molecular weight of 240.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 681437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).