(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one

C16H13ClO2 — CID 129388523

IUPAC(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one
SMILESCc1cccc2c1C(=O)C[C@H](c1ccccc1Cl)O2
InChIInChI=1S/C16H13ClO2/c1-10-5-4-8-14-16(10)13(18)9-15(19-14)11-6-2-3-7-12(11)17/h2-8,15H,9H2,1H3/t15-/m1/s1
InChIKeyONCIHLHIYZXUJP-OAHLLOKOSA-N
MW272.73 g/mol
LogP4.35
Rot. Bonds1

About (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one

(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one (PubChem CID 129388523) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one
PubChem CID129388523
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one
SMILESCc1cccc2c1C(=O)C[C@H](c1ccccc1Cl)O2
InChIInChI=1S/C16H13ClO2/c1-10-5-4-8-14-16(10)13(18)9-15(19-14)11-6-2-3-7-12(11)17/h2-8,15H,9H2,1H3/t15-/m1/s1
InChIKeyONCIHLHIYZXUJP-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one (CID 129388523) is (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one is Cc1cccc2c1C(=O)C[C@H](c1ccccc1Cl)O2.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one?
The InChIKey is ONCIHLHIYZXUJP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-5-4-8-14-16(10)13(18)9-15(19-14)11-6-2-3-7-12(11)17/h2-8,15H,9H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one?
(2R)-2-(2-chlorophenyl)-5-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 (2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 129388523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).