1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol

C25H15ClO — CID 139262695

IUPAC1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol
SMILESOC(C#CC#Cc1ccccc1)c1ccccc1C#Cc1ccc(Cl)cc1
InChIInChI=1S/C25H15ClO/c26-23-18-15-21(16-19-23)14-17-22-11-5-6-12-24(22)25(27)13-7-4-10-20-8-2-1-3-9-20/h1-3,5-6,8-9,11-12,15-16,18-19,25,27H
InChIKeyOFVVSPXSLBLVEK-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.83
Rot. Bonds1

About 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol

1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol (PubChem CID 139262695) has the molecular formula C25H15ClO and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol
PubChem CID139262695
Molecular FormulaC25H15ClO
Molecular Weight366.85 g/mol
Exact Mass366.08
IUPAC Name1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol
SMILESOC(C#CC#Cc1ccccc1)c1ccccc1C#Cc1ccc(Cl)cc1
InChIInChI=1S/C25H15ClO/c26-23-18-15-21(16-19-23)14-17-22-11-5-6-12-24(22)25(27)13-7-4-10-20-8-2-1-3-9-20/h1-3,5-6,8-9,11-12,15-16,18-19,25,27H
InChIKeyOFVVSPXSLBLVEK-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.83
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-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
CID 101184195
1-[2-[2-(4-nitrophenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 12014341
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol
CID 71566924
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008
1-(2-bromophenyl)-3-phenylprop-2-yn-1-ol
CID 11957893
1,4-bis[2-(2-propan-2-ylphenyl)ethynyl]benzene
CID 135021566
1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene
CID 121358913
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
7-phenylhepta-4,6-diyne-1,2,3-triol
CID 18534060
1-methoxy-4-[2-[2-(1-methoxy-3-phenylprop-2-ynyl)phenyl]ethynyl]benzene
CID 121348422
ethane;methanamine;[2-(2-phenylethynyl)phenyl]methanediamine
CID 143629077

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol?
The IUPAC name of 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol (CID 139262695) is 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol.
What is the SMILES notation for 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol?
The canonical SMILES for 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol is OC(C#CC#Cc1ccccc1)c1ccccc1C#Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol?
The InChIKey is OFVVSPXSLBLVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClO/c26-23-18-15-21(16-19-23)14-17-22-11-5-6-12-24(22)25(27)13-7-4-10-20-8-2-1-3-9-20/h1-3,5-6,8-9,11-12,15-16,18-19,25,27H.
What are the key properties of 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol?
1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol has a molecular weight of 366.85 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol is sourced from PubChem (CID 139262695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).