3,7-dihydroxy-1-methylbenzo[c]chromen-6-one

C14H10O4 — CID 11687367

IUPAC3,7-dihydroxy-1-methylbenzo[c]chromen-6-one
SMILESCc1cc(O)cc2oc(=O)c3c(O)cccc3c12
InChIInChI=1S/C14H10O4/c1-7-5-8(15)6-11-12(7)9-3-2-4-10(16)13(9)14(17)18-11/h2-6,15-16H,1H3
InChIKeySQMDOLRXKSZMDC-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.67
Rot. Bonds

About 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one

3,7-dihydroxy-1-methylbenzo[c]chromen-6-one (PubChem CID 11687367) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3,7-dihydroxy-1-methylbenzo[c]chromen-6-one
PubChem CID11687367
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name3,7-dihydroxy-1-methylbenzo[c]chromen-6-one
SMILESCc1cc(O)cc2oc(=O)c3c(O)cccc3c12
InChIInChI=1S/C14H10O4/c1-7-5-8(15)6-11-12(7)9-3-2-4-10(16)13(9)14(17)18-11/h2-6,15-16H,1H3
InChIKeySQMDOLRXKSZMDC-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

3-hydroxy-7-methylbenzo[c]chromen-6-one
CID 171935919
2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one
CID 175527129
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
1,3-dihydroxyxanthen-9-one
CID 5488193
7-hydroxy-3-(4-hydroxyphenyl)-2,5-dimethylchromen-4-one
CID 91171920
1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one
CID 171935988
2,7,9-trihydroxy-3-methoxy-1-methylbenzo[c]chromen-6-one
CID 171060646
1-hydroxy-2-methylbenzo[c]chromen-6-one
CID 57325981
19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-ol
CID 164568916
4-azido-5-hydroxy-3-methylchromen-2-one
CID 142152112
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
5,7-dimethyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-trien-3-one;2-methylphenol
CID 67782768

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one?
The IUPAC name of 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one (CID 11687367) is 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one?
The canonical SMILES for 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one is Cc1cc(O)cc2oc(=O)c3c(O)cccc3c12.
What is the InChIKey of 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one?
The InChIKey is SQMDOLRXKSZMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-7-5-8(15)6-11-12(7)9-3-2-4-10(16)13(9)14(17)18-11/h2-6,15-16H,1H3.
What are the key properties of 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one?
3,7-dihydroxy-1-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 3,7-dihydroxy-1-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 11687367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).