3-hydroxy-4-methylbenzo[h]chromen-2-one

C14H10O3 — CID 154018255

IUPAC3-hydroxy-4-methylbenzo[h]chromen-2-one
SMILESCc1c(O)c(=O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H10O3/c1-8-10-7-6-9-4-2-3-5-11(9)13(10)17-14(16)12(8)15/h2-7,15H,1H3
InChIKeyBYTODYRJYJMSEV-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.96
Rot. Bonds

About 3-hydroxy-4-methylbenzo[h]chromen-2-one

3-hydroxy-4-methylbenzo[h]chromen-2-one (PubChem CID 154018255) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-hydroxy-4-methylbenzo[h]chromen-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methylbenzo[h]chromen-2-one
PubChem CID154018255
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name3-hydroxy-4-methylbenzo[h]chromen-2-one
SMILESCc1c(O)c(=O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H10O3/c1-8-10-7-6-9-4-2-3-5-11(9)13(10)17-14(16)12(8)15/h2-7,15H,1H3
InChIKeyBYTODYRJYJMSEV-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

Acetomenaphthone
CID 11310
2-Naphthoxyacetic acid
CID 8422
Propanoic acid, 2-(1-naphthalenyloxy)-
CID 85662
Naphthoxyacetic acid
CID 76313
1-Naphthyl acetate
CID 13247
3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid
CID 737853
4-Methyl-2H-benzo[h]chromen-2-one
CID 602862
1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate
CID 40747
2-Naphthyl lactate
CID 7140
2-acetyl-3H-benzo(f)chromen-3-one
CID 748172
alpha-Naphthyl butyrate
CID 76571
Bunaprolast
CID 68730

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylbenzo[h]chromen-2-one?
The IUPAC name of 3-hydroxy-4-methylbenzo[h]chromen-2-one (CID 154018255) is 3-hydroxy-4-methylbenzo[h]chromen-2-one.
What is the SMILES notation for 3-hydroxy-4-methylbenzo[h]chromen-2-one?
The canonical SMILES for 3-hydroxy-4-methylbenzo[h]chromen-2-one is Cc1c(O)c(=O)oc2c1ccc1ccccc12.
What is the InChIKey of 3-hydroxy-4-methylbenzo[h]chromen-2-one?
The InChIKey is BYTODYRJYJMSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-8-10-7-6-9-4-2-3-5-11(9)13(10)17-14(16)12(8)15/h2-7,15H,1H3.
What are the key properties of 3-hydroxy-4-methylbenzo[h]chromen-2-one?
3-hydroxy-4-methylbenzo[h]chromen-2-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-4-methylbenzo[h]chromen-2-one is sourced from PubChem (CID 154018255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).