8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one

C17H14O4 — CID 20596096

IUPAC8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one
SMILESCOc1cc2oc(=O)c3cc(C(C)=O)ccc3c2cc1C
InChIInChI=1S/C17H14O4/c1-9-6-13-12-5-4-11(10(2)18)7-14(12)17(19)21-16(13)8-15(9)20-3/h4-8H,1-3H3
InChIKeyVBOYARYOSZRKBF-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.47
Rot. Bonds2

About 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one

8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one (PubChem CID 20596096) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one
PubChem CID20596096
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one
SMILESCOc1cc2oc(=O)c3cc(C(C)=O)ccc3c2cc1C
InChIInChI=1S/C17H14O4/c1-9-6-13-12-5-4-11(10(2)18)7-14(12)17(19)21-16(13)8-15(9)20-3/h4-8H,1-3H3
InChIKeyVBOYARYOSZRKBF-UHFFFAOYSA-N
XLogP3.47
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one
CID 11999750
8-acetyl-3-(3,4-dihydropyridin-3-ylmethoxy)-2-methoxybenzo[c]chromen-6-one
CID 89367452
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
[4-[(8-acetyl-3-hydroxy-2-methoxy-6-oxobenzo[c]chromen-4-yl)methyl]phenyl] acetate
CID 11999398
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
3-hydroxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
CID 11999160
2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
CID 167583154
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902820
6-acetyl-7-methoxy-4-methylchromen-2-one
CID 15290605
3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
CID 130455889
8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one
CID 11999627
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one?
The IUPAC name of 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one (CID 20596096) is 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one?
The canonical SMILES for 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one is COc1cc2oc(=O)c3cc(C(C)=O)ccc3c2cc1C.
What is the InChIKey of 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one?
The InChIKey is VBOYARYOSZRKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-9-6-13-12-5-4-11(10(2)18)7-14(12)17(19)21-16(13)8-15(9)20-3/h4-8H,1-3H3.
What are the key properties of 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one?
8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one has a molecular weight of 282.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-methoxy-2-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 20596096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).