(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol

C15H12BrClO2 — CID 104949823

IUPAC(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccc(Cl)c(Br)c2)Oc2ccccc21
InChIInChI=1S/C15H12BrClO2/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15,18H,8H2/t13-,15?/m0/s1
InChIKeyWYGUVKMZPWWENT-CFMCSPIPSA-N
MW339.62 g/mol
LogP4.66
Rot. Bonds1

About (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949823) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949823
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccc(Cl)c(Br)c2)Oc2ccccc21
InChIInChI=1S/C15H12BrClO2/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15,18H,8H2/t13-,15?/m0/s1
InChIKeyWYGUVKMZPWWENT-CFMCSPIPSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404380
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019
(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715570
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
(4R)-2-(7-bromo-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950227
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104949823) is (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2ccc(Cl)c(Br)c2)Oc2ccccc21.
What is the InChIKey of (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WYGUVKMZPWWENT-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H12BrClO2/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,13,15,18H,8H2/t13-,15?/m0/s1.
What are the key properties of (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 339.62 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).