3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol

C15H9BrCl2O — CID 20546985

IUPAC3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol
SMILESOC(C#CBr)(c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H9BrCl2O/c16-10-9-15(19,11-5-7-12(17)8-6-11)13-3-1-2-4-14(13)18/h1-8,19H
InChIKeyFYABIZPHOWSDII-UHFFFAOYSA-N
MW356.05 g/mol
LogP4.59
Rot. Bonds2

About 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol

3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol (PubChem CID 20546985) has the molecular formula C15H9BrCl2O and a molecular weight of 356.05 g/mol. Its IUPAC name is 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol
PubChem CID20546985
Molecular FormulaC15H9BrCl2O
Molecular Weight356.05 g/mol
Exact Mass353.92
IUPAC Name3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol
SMILESOC(C#CBr)(c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H9BrCl2O/c16-10-9-15(19,11-5-7-12(17)8-6-11)13-3-1-2-4-14(13)18/h1-8,19H
InChIKeyFYABIZPHOWSDII-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.05
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-chlorophenyl)-3-[2,3,4,5,6-pentakis[(3S)-3-(2-chlorophenyl)-3-hydroxy-3-phenylprop-1-ynyl]phenyl]-1-phenylprop-2-yn-1-ol
CID 102063537
(1S,7S)-1,7-bis(2-chlorophenyl)-1,7-diphenylhepta-2,5-diyne-1,4,7-triol
CID 11145688
1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
CID 46944475
2-(2-chlorophenyl)propan-2-ol
CID 12759846
carbon monoxide;1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol;bis(cobalt(3+))
CID 5243492
1-(4-chlorophenyl)-1-(2-fluorophenyl)ethanol
CID 55026142
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-(2-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62788125
1-(2-fluorophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol
CID 102246639
1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508
(2-chlorophenyl)-(4-chlorophenyl)-(1-oxidopyrimidin-1-ium-5-yl)methanol
CID 56679448
(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile
CID 96566549

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol?
The IUPAC name of 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol (CID 20546985) is 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol is OC(C#CBr)(c1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol?
The InChIKey is FYABIZPHOWSDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2O/c16-10-9-15(19,11-5-7-12(17)8-6-11)13-3-1-2-4-14(13)18/h1-8,19H.
What are the key properties of 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol?
3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol has a molecular weight of 356.05 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-yn-1-ol is sourced from PubChem (CID 20546985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).