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

C10H7ClO3 — CID 54685558

IUPAC6-chloro-4-hydroxy-3-methylchromen-2-one
SMILESCc1c(O)c2cc(Cl)ccc2oc1=O
InChIInChI=1S/C10H7ClO3/c1-5-9(12)7-4-6(11)2-3-8(7)14-10(5)13/h2-4,12H,1H3
InChIKeyMXIUFZMCZDNDJG-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.46
Rot. Bonds

About 6-chloro-4-hydroxy-3-methylchromen-2-one

6-chloro-4-hydroxy-3-methylchromen-2-one (PubChem CID 54685558) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-3-methylchromen-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-3-methylchromen-2-one
PubChem CID54685558
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name6-chloro-4-hydroxy-3-methylchromen-2-one
SMILESCc1c(O)c2cc(Cl)ccc2oc1=O
InChIInChI=1S/C10H7ClO3/c1-5-9(12)7-4-6(11)2-3-8(7)14-10(5)13/h2-4,12H,1H3
InChIKeyMXIUFZMCZDNDJG-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 6-chloro-4-hydroxy-3-methylchromen-2-one?
The IUPAC name of 6-chloro-4-hydroxy-3-methylchromen-2-one (CID 54685558) is 6-chloro-4-hydroxy-3-methylchromen-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-3-methylchromen-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-3-methylchromen-2-one is Cc1c(O)c2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-4-hydroxy-3-methylchromen-2-one?
The InChIKey is MXIUFZMCZDNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c1-5-9(12)7-4-6(11)2-3-8(7)14-10(5)13/h2-4,12H,1H3.
What are the key properties of 6-chloro-4-hydroxy-3-methylchromen-2-one?
6-chloro-4-hydroxy-3-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 6-chloro-4-hydroxy-3-methylchromen-2-one is sourced from PubChem (CID 54685558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).