(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol

C22H19ClO2 — CID 15427638

IUPAC(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1c2ccccc2O[C@H](c2ccccc2)[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClO2/c23-17-12-10-15(11-13-17)14-19-21(24)18-8-4-5-9-20(18)25-22(19)16-6-2-1-3-7-16/h1-13,19,21-22,24H,14H2/t19-,21+,22+/m0/s1
InChIKeyJWZBZMNNTRGION-KSEOMHKRSA-N
MW350.85 g/mol
LogP5.37
Rot. Bonds3

About (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol

(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 15427638) has the molecular formula C22H19ClO2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID15427638
Molecular FormulaC22H19ClO2
Molecular Weight350.85 g/mol
Exact Mass350.11
IUPAC Name(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1c2ccccc2O[C@H](c2ccccc2)[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClO2/c23-17-12-10-15(11-13-17)14-19-21(24)18-8-4-5-9-20(18)25-22(19)16-6-2-1-3-7-16/h1-13,19,21-22,24H,14H2/t19-,21+,22+/m0/s1
InChIKeyJWZBZMNNTRGION-KSEOMHKRSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S)-3-[(4-nitrophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 15427639
(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 11042883
(2R,3S,4R)-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 1229687
2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 14250425
(2R,3S,4R)-6-chloro-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 99864902
(2R,3S,4S)-6-chloro-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 99942157
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
CID 138977577
3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 54060432
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran
CID 11806703
2-[(2S,3R,4S)-2-(4-chlorophenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]acetaldehyde
CID 42604323
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol (CID 15427638) is (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1c2ccccc2O[C@H](c2ccccc2)[C@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JWZBZMNNTRGION-KSEOMHKRSA-N. The full InChI is InChI=1S/C22H19ClO2/c23-17-12-10-15(11-13-17)14-19-21(24)18-8-4-5-9-20(18)25-22(19)16-6-2-1-3-7-16/h1-13,19,21-22,24H,14H2/t19-,21+,22+/m0/s1.
What are the key properties of (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 350.85 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 15427638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).