7,9-dihydroxy-3-methylbenzo[c]chromen-6-one

C14H10O4 — CID 167630896

IUPAC7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)oc(=O)c1c(O)cc(O)cc12
InChIInChI=1S/C14H10O4/c1-7-2-3-9-10-5-8(15)6-11(16)13(10)14(17)18-12(9)4-7/h2-6,15-16H,1H3
InChIKeyHVPKTBXSGOJBNE-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.67
Rot. Bonds

About 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one

7,9-dihydroxy-3-methylbenzo[c]chromen-6-one (PubChem CID 167630896) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
PubChem CID167630896
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)oc(=O)c1c(O)cc(O)cc12
InChIInChI=1S/C14H10O4/c1-7-2-3-9-10-5-8(15)6-11(16)13(10)14(17)18-12(9)4-7/h2-6,15-16H,1H3
InChIKeyHVPKTBXSGOJBNE-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.67
H-Bond Donors ≤ 52
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

4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one
CID 175527129
1-hydroxy-6-methylxanthen-9-one
CID 13031893
2,7,9-trihydroxy-3-methoxy-1-methylbenzo[c]chromen-6-one
CID 171060646
6,8-dihydroxy-3-(hydroxymethyl)-4-methylisochromen-1-one
CID 59053402
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
9-bromo-3-methylbenzo[c]chromen-6-one
CID 167533564
3-hydroxy-7-methylbenzo[c]chromen-6-one
CID 171935919
3,7-dihydroxy-1-methylbenzo[c]chromen-6-one
CID 11687367
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
CID 118531178

Frequently Asked Questions

What is the IUPAC name of 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one?
The IUPAC name of 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one (CID 167630896) is 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one?
The canonical SMILES for 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one is Cc1ccc2c(c1)oc(=O)c1c(O)cc(O)cc12.
What is the InChIKey of 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one?
The InChIKey is HVPKTBXSGOJBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-7-2-3-9-10-5-8(15)6-11(16)13(10)14(17)18-12(9)4-7/h2-6,15-16H,1H3.
What are the key properties of 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one?
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one has a molecular weight of 242.23 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydroxy-3-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 167630896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).