6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one

C16H11ClO3 — CID 89325321

IUPAC6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one
SMILESCc1ccccc1-c1coc2cc(O)c(Cl)cc2c1=O
InChIInChI=1S/C16H11ClO3/c1-9-4-2-3-5-10(9)12-8-20-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,18H,1H3
InChIKeyCKVFASGGRFISLI-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.13
Rot. Bonds1

About 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one

6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one (PubChem CID 89325321) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one
PubChem CID89325321
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one
SMILESCc1ccccc1-c1coc2cc(O)c(Cl)cc2c1=O
InChIInChI=1S/C16H11ClO3/c1-9-4-2-3-5-10(9)12-8-20-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,18H,1H3
InChIKeyCKVFASGGRFISLI-UHFFFAOYSA-N
XLogP4.13
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one?
The IUPAC name of 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one (CID 89325321) is 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one is Cc1ccccc1-c1coc2cc(O)c(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one?
The InChIKey is CKVFASGGRFISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-9-4-2-3-5-10(9)12-8-20-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,18H,1H3.
What are the key properties of 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one?
6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one has a molecular weight of 286.71 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one is sourced from PubChem (CID 89325321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).