1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol

C17H15ClO — CID 21322371

IUPAC1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol
SMILESCCC(O)C#Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClO/c1-2-15(19)12-9-13-7-10-14(11-8-13)16-5-3-4-6-17(16)18/h3-8,10-11,15,19H,2H2,1H3
InChIKeyAOIAGGDVDUKZSH-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.13
Rot. Bonds2

About 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol

1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol (PubChem CID 21322371) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol
PubChem CID21322371
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol
SMILESCCC(O)C#Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClO/c1-2-15(19)12-9-13-7-10-14(11-8-13)16-5-3-4-6-17(16)18/h3-8,10-11,15,19H,2H2,1H3
InChIKeyAOIAGGDVDUKZSH-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-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

1,5-Bis(2-chlorophenyl)pentan-3-ol
CID 171352282
4-[2-[[2-(2-Chlorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)phenyl]but-3-yn-2-ol
CID 141164494
3-(2-Chlorophenyl)-4-phenylbutan-2-ol
CID 129713947
(e,z)-6-Methyl-7-(2-chlorophenyl)hept-5-en-2-ol
CID 129757654
1-Chloro-2-[2-(4-propylphenyl)ethynyl]benzene
CID 135072481
(E)-5-(2-chlorophenyl)pent-4-en-2-ol
CID 168267392
1,5-Bis(4-chlorophenyl)penta-1,4-diyn-3-ol
CID 176429406
(3E)-5-(4-chlorophenyl)-1,1,1-trifluoro-3-[(4-methylphenyl)methylidene]pent-4-yn-2-ol
CID 17756045
1-(2-Chloro-6-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 62330611
1-(2-Chloro-4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 62608071
1-(2-Chloro-6-fluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 63018783
1-(2-Chloro-6-fluorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63024033

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol?
The IUPAC name of 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol (CID 21322371) is 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol.
What is the SMILES notation for 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol?
The canonical SMILES for 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol is CCC(O)C#Cc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol?
The InChIKey is AOIAGGDVDUKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO/c1-2-15(19)12-9-13-7-10-14(11-8-13)16-5-3-4-6-17(16)18/h3-8,10-11,15,19H,2H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol?
1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol has a molecular weight of 270.76 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)phenyl]pent-1-yn-3-ol is sourced from PubChem (CID 21322371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).