3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one

C17H13ClO3 — CID 5350853

IUPAC3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one
SMILESCc1oc2c(C)c(O)ccc2c(=O)c1-c1ccccc1Cl
InChIInChI=1S/C17H13ClO3/c1-9-14(19)8-7-12-16(20)15(10(2)21-17(9)12)11-5-3-4-6-13(11)18/h3-8,19H,1-2H3
InChIKeyHNLFTKVLUMIPMQ-UHFFFAOYSA-N
MW300.74 g/mol
LogP4.44
Rot. Bonds1

About 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one

3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one (PubChem CID 5350853) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one
PubChem CID5350853
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one
SMILESCc1oc2c(C)c(O)ccc2c(=O)c1-c1ccccc1Cl
InChIInChI=1S/C17H13ClO3/c1-9-14(19)8-7-12-16(20)15(10(2)21-17(9)12)11-5-3-4-6-13(11)18/h3-8,19H,1-2H3
InChIKeyHNLFTKVLUMIPMQ-UHFFFAOYSA-N
XLogP4.44
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one?
The IUPAC name of 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one (CID 5350853) is 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one is Cc1oc2c(C)c(O)ccc2c(=O)c1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one?
The InChIKey is HNLFTKVLUMIPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c1-9-14(19)8-7-12-16(20)15(10(2)21-17(9)12)11-5-3-4-6-13(11)18/h3-8,19H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one?
3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one has a molecular weight of 300.74 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one is sourced from PubChem (CID 5350853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).