1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol

C21H15ClO — CID 46944475

IUPAC1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
SMILESOC(C#Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClO/c22-20-13-11-19(12-14-20)21(23,18-9-5-2-6-10-18)16-15-17-7-3-1-4-8-17/h1-14,23H
InChIKeyRMVUEIFLLWKNQA-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.63
Rot. Bonds2

About 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol

1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol (PubChem CID 46944475) has the molecular formula C21H15ClO and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
PubChem CID46944475
Molecular FormulaC21H15ClO
Molecular Weight318.80 g/mol
Exact Mass318.08
IUPAC Name1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
SMILESOC(C#Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClO/c22-20-13-11-19(12-14-20)21(23,18-9-5-2-6-10-18)16-15-17-7-3-1-4-8-17/h1-14,23H
InChIKeyRMVUEIFLLWKNQA-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.63
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

1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
3-(4-chlorophenyl)-1-phenylhept-6-en-1-yn-3-ol
CID 171060338
1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol
CID 11144141
2-[3-(4-chlorophenyl)-1,5-diphenylpenta-1,4-diyn-3-yl]oxyethanol
CID 102162999
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
(4E,6E)-1-(4-chlorophenyl)-3,7-diphenylhepta-4,6-dien-1-yn-3-ol
CID 102527134
4-(4-chlorophenyl)-2-methylbut-3-yn-2-ol
CID 11735713
1-chloro-4-tritylbenzene
CID 14737307
(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
1,1-diphenylbut-2-yn-1-ol
CID 569279
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol (CID 46944475) is 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol is OC(C#Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol?
The InChIKey is RMVUEIFLLWKNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO/c22-20-13-11-19(12-14-20)21(23,18-9-5-2-6-10-18)16-15-17-7-3-1-4-8-17/h1-14,23H.
What are the key properties of 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol?
1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol has a molecular weight of 318.80 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol is sourced from PubChem (CID 46944475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).