3-chloro-7-hydroxy-4-methylchromen-2-one

C10H7ClO3 — CID 5355079

IUPAC3-chloro-7-hydroxy-4-methylchromen-2-one
SMILESCc1c(Cl)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3
InChIKeyODZHLDRQCZXQFQ-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.46
Rot. Bonds

About 3-chloro-7-hydroxy-4-methylchromen-2-one

3-chloro-7-hydroxy-4-methylchromen-2-one (PubChem CID 5355079) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 3-chloro-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name3-chloro-7-hydroxy-4-methylchromen-2-one
PubChem CID5355079
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name3-chloro-7-hydroxy-4-methylchromen-2-one
SMILESCc1c(Cl)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3
InChIKeyODZHLDRQCZXQFQ-UHFFFAOYSA-N
XLogP2.46
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 3-chloro-7-hydroxy-4-methylchromen-2-one (CID 5355079) is 3-chloro-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 3-chloro-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 3-chloro-7-hydroxy-4-methylchromen-2-one is Cc1c(Cl)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 3-chloro-7-hydroxy-4-methylchromen-2-one?
The InChIKey is ODZHLDRQCZXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3.
What are the key properties of 3-chloro-7-hydroxy-4-methylchromen-2-one?
3-chloro-7-hydroxy-4-methylchromen-2-one has a molecular weight of 210.62 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 5355079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).