8-hydroxy-7-methylchromen-2-one

C10H8O3 — CID 145496971

IUPAC8-hydroxy-7-methylchromen-2-one
SMILESCc1ccc2ccc(=O)oc2c1O
InChIInChI=1S/C10H8O3/c1-6-2-3-7-4-5-8(11)13-10(7)9(6)12/h2-5,12H,1H3
InChIKeyUSWBCDGBWJNMOV-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.81
Rot. Bonds

About 8-hydroxy-7-methylchromen-2-one

8-hydroxy-7-methylchromen-2-one (PubChem CID 145496971) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 8-hydroxy-7-methylchromen-2-one.

Molecular Properties

Compound Name8-hydroxy-7-methylchromen-2-one
PubChem CID145496971
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name8-hydroxy-7-methylchromen-2-one
SMILESCc1ccc2ccc(=O)oc2c1O
InChIInChI=1S/C10H8O3/c1-6-2-3-7-4-5-8(11)13-10(7)9(6)12/h2-5,12H,1H3
InChIKeyUSWBCDGBWJNMOV-UHFFFAOYSA-N
XLogP1.81
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

butanedioic acid;bis(7,8-dihydroxychromen-2-one)
CID 174471020
8-acetyl-7-hydroxychromen-2-one
CID 5411574
7-hydroxy-6,8-bis[(4-methylphenyl)sulfanyl]chromen-2-one
CID 102503603
7-hydroxy-8-(3-hydroxypropyl)chromen-2-one
CID 145469984
7-hydroxy-8-(2-methyliminoethyl)chromen-2-one
CID 167020442
7,8-dihydroxy-6-(iodomethoxy)chromen-2-one
CID 88563798
6,7-dihydroxychromen-2-one
CID 5281416
8-acetyl-7-ethylchromen-2-one
CID 71718249
6-methyl-8-nitrochromen-2-one
CID 176726542
8,9-dihydro-7H-cyclopenta[h]chromen-2-one
CID 141136737
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
8-(hydroxymethyl)-7-methoxychromen-2-one
CID 1051542

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-methylchromen-2-one?
The IUPAC name of 8-hydroxy-7-methylchromen-2-one (CID 145496971) is 8-hydroxy-7-methylchromen-2-one.
What is the SMILES notation for 8-hydroxy-7-methylchromen-2-one?
The canonical SMILES for 8-hydroxy-7-methylchromen-2-one is Cc1ccc2ccc(=O)oc2c1O.
What is the InChIKey of 8-hydroxy-7-methylchromen-2-one?
The InChIKey is USWBCDGBWJNMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-6-2-3-7-4-5-8(11)13-10(7)9(6)12/h2-5,12H,1H3.
What are the key properties of 8-hydroxy-7-methylchromen-2-one?
8-hydroxy-7-methylchromen-2-one has a molecular weight of 176.17 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-methylchromen-2-one is sourced from PubChem (CID 145496971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).