(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one

C21H15ClO2 — CID 25171057

IUPAC(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H15ClO2/c22-16-12-10-15(11-13-16)21-19(14-6-2-1-3-7-14)20(23)17-8-4-5-9-18(17)24-21/h1-13,19,21H/t19-,21-/m0/s1
InChIKeySSCLBEFSYWAQIT-FPOVZHCZSA-N
MW334.80 g/mol
LogP5.44
Rot. Bonds2

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

(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one (PubChem CID 25171057) has the molecular formula C21H15ClO2 and a molecular weight of 334.80 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
PubChem CID25171057
Molecular FormulaC21H15ClO2
Molecular Weight334.80 g/mol
Exact Mass334.08
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H15ClO2/c22-16-12-10-15(11-13-16)21-19(14-6-2-1-3-7-14)20(23)17-8-4-5-9-18(17)24-21/h1-13,19,21H/t19-,21-/m0/s1
InChIKeySSCLBEFSYWAQIT-FPOVZHCZSA-N
XLogP5.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.80
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one
CID 15043727
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 10786053
6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 23465685
(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one
CID 23941129
3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenyl-2,3-dihydrochromen-4-one
CID 23910632
(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one
CID 155678093
[(2R,3R)-2-(4-chlorophenyl)-4-oxo-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate
CID 10456932
3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 174476724
[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
CID 7212963
(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 14595238

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one (CID 25171057) is (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one is O=C1c2ccccc2O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is SSCLBEFSYWAQIT-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H15ClO2/c22-16-12-10-15(11-13-16)21-19(14-6-2-1-3-7-14)20(23)17-8-4-5-9-18(17)24-21/h1-13,19,21H/t19-,21-/m0/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one?
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 334.80 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 25171057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).