2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one

C15H12O5 — CID 175527129

IUPAC2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one
SMILESCc1cc2oc(=O)c3c(O)cc(O)cc3c2c(C)c1O
InChIInChI=1S/C15H12O5/c1-6-3-11-12(7(2)14(6)18)9-4-8(16)5-10(17)13(9)15(19)20-11/h3-5,16-18H,1-2H3
InChIKeyFQSZIWXNMMVBDY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.68
Rot. Bonds

About 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one

2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one (PubChem CID 175527129) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one
PubChem CID175527129
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one
SMILESCc1cc2oc(=O)c3c(O)cc(O)cc3c2c(C)c1O
InChIInChI=1S/C15H12O5/c1-6-3-11-12(7(2)14(6)18)9-4-8(16)5-10(17)13(9)15(19)20-11/h3-5,16-18H,1-2H3
InChIKeyFQSZIWXNMMVBDY-UHFFFAOYSA-N
XLogP2.68
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.68
H-Bond Donors ≤ 53
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

2,7,9-trihydroxy-3-methoxy-1-methylbenzo[c]chromen-6-one
CID 171060646
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
6,8-dihydroxy-3-(hydroxymethyl)-4-methylisochromen-1-one
CID 59053402
3,7-dihydroxy-1-methylbenzo[c]chromen-6-one
CID 11687367
4,6-dihydroxy-3,7-dimethylchromen-2-one
CID 102497049
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
3,4,7-trihydroxy-6-methylchromen-2-one
CID 156582420
2-chloro-6,8-dihydroxy-3-methoxy-1-methylxanthen-9-one
CID 14992078
4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one
CID 54736430
6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one
CID 23932371
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-methylpropyl)acetamide
CID 6221816
7,8,9-trihydroxy-3-methylpyrano[4,3-b][1]benzofuran-1-one
CID 25066560

Frequently Asked Questions

What is the IUPAC name of 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one?
The IUPAC name of 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one (CID 175527129) is 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one.
What is the SMILES notation for 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one?
The canonical SMILES for 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one is Cc1cc2oc(=O)c3c(O)cc(O)cc3c2c(C)c1O.
What is the InChIKey of 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one?
The InChIKey is FQSZIWXNMMVBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-6-3-11-12(7(2)14(6)18)9-4-8(16)5-10(17)13(9)15(19)20-11/h3-5,16-18H,1-2H3.
What are the key properties of 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one?
2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one has a molecular weight of 272.26 g/mol, XLogP of 2.68, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one is sourced from PubChem (CID 175527129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).