1-hydroxy-2-methylbenzo[c]chromen-6-one

C14H10O3 — CID 57325981

IUPAC1-hydroxy-2-methylbenzo[c]chromen-6-one
SMILESCc1ccc2oc(=O)c3ccccc3c2c1O
InChIInChI=1S/C14H10O3/c1-8-6-7-11-12(13(8)15)9-4-2-3-5-10(9)14(16)17-11/h2-7,15H,1H3
InChIKeyBLMOMMACEVVJDN-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.96
Rot. Bonds

About 1-hydroxy-2-methylbenzo[c]chromen-6-one

1-hydroxy-2-methylbenzo[c]chromen-6-one (PubChem CID 57325981) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-hydroxy-2-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name1-hydroxy-2-methylbenzo[c]chromen-6-one
PubChem CID57325981
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name1-hydroxy-2-methylbenzo[c]chromen-6-one
SMILESCc1ccc2oc(=O)c3ccccc3c2c1O
InChIInChI=1S/C14H10O3/c1-8-6-7-11-12(13(8)15)9-4-2-3-5-10(9)14(16)17-11/h2-7,15H,1H3
InChIKeyBLMOMMACEVVJDN-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

8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
4-hydroxy-3-methylchromen-2-one
CID 54687016
5-hydroxy-2,6-dimethylchromen-4-one
CID 170989896
benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
2-amino-1-bromobenzo[c]chromen-6-one
CID 68941331
3-hydroxy-7-methylbenzo[c]chromen-6-one
CID 171935919
5,7-dimethyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-trien-3-one;2-methylphenol
CID 67782768
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
3-(2,4-dimethylphenyl)-4-hydroxychromen-2-one
CID 54676463
8-amino-1,2-dihydroxybenzo[c]chromen-6-one
CID 71307713
1-benzoylbenzo[c]chromen-6-one
CID 21258648
3-[(3-fluoro-4-methylphenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135485045

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methylbenzo[c]chromen-6-one?
The IUPAC name of 1-hydroxy-2-methylbenzo[c]chromen-6-one (CID 57325981) is 1-hydroxy-2-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 1-hydroxy-2-methylbenzo[c]chromen-6-one?
The canonical SMILES for 1-hydroxy-2-methylbenzo[c]chromen-6-one is Cc1ccc2oc(=O)c3ccccc3c2c1O.
What is the InChIKey of 1-hydroxy-2-methylbenzo[c]chromen-6-one?
The InChIKey is BLMOMMACEVVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-8-6-7-11-12(13(8)15)9-4-2-3-5-10(9)14(16)17-11/h2-7,15H,1H3.
What are the key properties of 1-hydroxy-2-methylbenzo[c]chromen-6-one?
1-hydroxy-2-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 1-hydroxy-2-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 57325981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).