4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol

C16H13ClO — CID 21322299

IUPAC4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO/c1-12(18)2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-12,18H,1H3
InChIKeyGYVGXKFMAXIUQY-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.74
Rot. Bonds1

About 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol

4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol (PubChem CID 21322299) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol
PubChem CID21322299
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO/c1-12(18)2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-12,18H,1H3
InChIKeyGYVGXKFMAXIUQY-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-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

(2R)-4-(4-chlorophenyl)but-3-yn-2-amine
CID 58952384
(2R)-4-(4-fluorophenyl)but-3-yn-2-ol
CID 45090838
4-(4-fluoro-3-methylphenyl)but-3-yn-2-ol
CID 130055776
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol
CID 146002748
4-(5-chloro-2-methylphenyl)but-3-yn-2-ol
CID 130055698
methyl 4-(3-hydroxybut-1-ynyl)benzoate
CID 23006394
1-chloro-4-(4-pent-1-ynylphenyl)benzene
CID 19386294
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
1-methyl-4-(3-methylbut-1-ynyl)benzene
CID 12861406
4-(4-chlorophenyl)-2-methylbut-3-yn-2-ol
CID 11735713
1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol
CID 21322371

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol?
The IUPAC name of 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol (CID 21322299) is 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol?
The canonical SMILES for 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol is CC(O)C#Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol?
The InChIKey is GYVGXKFMAXIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO/c1-12(18)2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-12,18H,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol?
4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol has a molecular weight of 256.73 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol is sourced from PubChem (CID 21322299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).