1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one

C16H12O5 — CID 171935988

IUPAC1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one
SMILESCOc1cccc2c(=O)oc3cc(O)cc(C(C)=O)c3c12
InChIInChI=1S/C16H12O5/c1-8(17)11-6-9(18)7-13-15(11)14-10(16(19)21-13)4-3-5-12(14)20-2/h3-7,18H,1-2H3
InChIKeyMARWFZAZGBVOCE-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.86
Rot. Bonds2

About 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one

1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one (PubChem CID 171935988) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one
PubChem CID171935988
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one
SMILESCOc1cccc2c(=O)oc3cc(O)cc(C(C)=O)c3c12
InChIInChI=1S/C16H12O5/c1-8(17)11-6-9(18)7-13-15(11)14-10(16(19)21-13)4-3-5-12(14)20-2/h3-7,18H,1-2H3
InChIKeyMARWFZAZGBVOCE-UHFFFAOYSA-N
XLogP2.86
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
3,4,5-trimethoxychromen-2-one
CID 19930053
(3-acetyl-4-hydroxy-8-methoxynaphthalen-1-yl) acetate
CID 162747341
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
1-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936004
1,2-bis(5-methoxy-2-oxochromen-3-yl)ethane-1,2-dione
CID 87234772
3-fluoro-7-hydroxy-5-methoxy-4-methylchromen-2-one
CID 164597280
2-(3,5-dimethoxy-2-oxochromen-4-yl)acetic acid
CID 174954482
(7-hydroxy-4-methoxy-2-oxochromen-3-yl) acetate
CID 19929885
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
(4-acetyloxy-5-methoxy-2-oxochromen-3-yl) benzoate
CID 19929720
3,7-dihydroxy-1-methylbenzo[c]chromen-6-one
CID 11687367

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one?
The IUPAC name of 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one (CID 171935988) is 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one.
What is the SMILES notation for 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one?
The canonical SMILES for 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one is COc1cccc2c(=O)oc3cc(O)cc(C(C)=O)c3c12.
What is the InChIKey of 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one?
The InChIKey is MARWFZAZGBVOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-8(17)11-6-9(18)7-13-15(11)14-10(16(19)21-13)4-3-5-12(14)20-2/h3-7,18H,1-2H3.
What are the key properties of 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one?
1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one has a molecular weight of 284.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one is sourced from PubChem (CID 171935988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).