(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one

C16H13ClO2 — CID 804880

IUPAC(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C[C@@H](c1ccccc1Cl)O2
InChIInChI=1S/C16H13ClO2/c1-10-6-7-15-12(8-10)14(18)9-16(19-15)11-4-2-3-5-13(11)17/h2-8,16H,9H2,1H3/t16-/m0/s1
InChIKeyCSLHIUUMNJOKKV-INIZCTEOSA-N
MW272.73 g/mol
LogP4.35
Rot. Bonds1

About (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one

(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 804880) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
PubChem CID804880
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C[C@@H](c1ccccc1Cl)O2
InChIInChI=1S/C16H13ClO2/c1-10-6-7-15-12(8-10)14(18)9-16(19-15)11-4-2-3-5-13(11)17/h2-8,16H,9H2,1H3/t16-/m0/s1
InChIKeyCSLHIUUMNJOKKV-INIZCTEOSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673693
2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673668
(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one
CID 129388523
6-chloro-2-(3-chloro-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672674
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one
CID 82046430
2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672012
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673641
2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-methyl-2,3-dihydrochromen-4-one
CID 4074214
6-bromo-2-(8-chloro-2-methylquinolin-4-yl)-2,3-dihydrochromen-4-one
CID 132571086
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one (CID 804880) is (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)C[C@@H](c1ccccc1Cl)O2.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is CSLHIUUMNJOKKV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-6-7-15-12(8-10)14(18)9-16(19-15)11-4-2-3-5-13(11)17/h2-8,16H,9H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one?
(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 272.73 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 804880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).