3-hydroxy-7-methylbenzo[c]chromen-6-one

C14H10O3 — CID 171935919

IUPAC3-hydroxy-7-methylbenzo[c]chromen-6-one
SMILESCc1cccc2c1c(=O)oc1cc(O)ccc12
InChIInChI=1S/C14H10O3/c1-8-3-2-4-11-10-6-5-9(15)7-12(10)17-14(16)13(8)11/h2-7,15H,1H3
InChIKeyWLQAVYWGYJDKQN-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.96
Rot. Bonds

About 3-hydroxy-7-methylbenzo[c]chromen-6-one

3-hydroxy-7-methylbenzo[c]chromen-6-one (PubChem CID 171935919) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-hydroxy-7-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-7-methylbenzo[c]chromen-6-one
PubChem CID171935919
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name3-hydroxy-7-methylbenzo[c]chromen-6-one
SMILESCc1cccc2c1c(=O)oc1cc(O)ccc12
InChIInChI=1S/C14H10O3/c1-8-3-2-4-11-10-6-5-9(15)7-12(10)17-14(16)13(8)11/h2-7,15H,1H3
InChIKeyWLQAVYWGYJDKQN-UHFFFAOYSA-N
XLogP2.96
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
3,7-dihydroxy-1-methylbenzo[c]chromen-6-one
CID 11687367
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one
CID 171936140
9-methyldibenzofuran-2-ol
CID 142343102
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one
CID 89042295
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
CID 153050234
CID 153050234

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methylbenzo[c]chromen-6-one?
The IUPAC name of 3-hydroxy-7-methylbenzo[c]chromen-6-one (CID 171935919) is 3-hydroxy-7-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-7-methylbenzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxy-7-methylbenzo[c]chromen-6-one is Cc1cccc2c1c(=O)oc1cc(O)ccc12.
What is the InChIKey of 3-hydroxy-7-methylbenzo[c]chromen-6-one?
The InChIKey is WLQAVYWGYJDKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-8-3-2-4-11-10-6-5-9(15)7-12(10)17-14(16)13(8)11/h2-7,15H,1H3.
What are the key properties of 3-hydroxy-7-methylbenzo[c]chromen-6-one?
3-hydroxy-7-methylbenzo[c]chromen-6-one has a molecular weight of 226.23 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 171935919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).