1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol

C26H20O — CID 102211002

IUPAC1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol
SMILESOC(C#Cc1ccccc1)(Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H20O/c27-26(24-15-5-2-6-16-24,19-18-21-10-3-1-4-11-21)20-23-14-9-13-22-12-7-8-17-25(22)23/h1-17,27H,20H2
InChIKeyWCEFFIKVUVYWMR-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.32
Rot. Bonds3

About 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol

1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol (PubChem CID 102211002) has the molecular formula C26H20O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol
PubChem CID102211002
Molecular FormulaC26H20O
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Name1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol
SMILESOC(C#Cc1ccccc1)(Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H20O/c27-26(24-15-5-2-6-16-24,19-18-21-10-3-1-4-11-21)20-23-14-9-13-22-12-7-8-17-25(22)23/h1-17,27H,20H2
InChIKeyWCEFFIKVUVYWMR-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.32
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

(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
2-fluoro-3-naphthalen-1-yl-2-phenylpropan-1-amine
CID 115918085
naphthalen-1-ylmethyl 3-phenylprop-2-ynoate
CID 14782739
1-(1-naphthalen-1-yl-2-phenylpropan-2-yl)naphthalene
CID 173163725
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol
CID 23091538
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399
2-amino-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-1-ol
CID 25214823
3-naphthalen-2-yl-1-phenylhept-6-en-1-yn-3-ol
CID 171060361
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol?
The IUPAC name of 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol (CID 102211002) is 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol.
What is the SMILES notation for 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol?
The canonical SMILES for 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol is OC(C#Cc1ccccc1)(Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol?
The InChIKey is WCEFFIKVUVYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O/c27-26(24-15-5-2-6-16-24,19-18-21-10-3-1-4-11-21)20-23-14-9-13-22-12-7-8-17-25(22)23/h1-17,27H,20H2.
What are the key properties of 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol?
1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol has a molecular weight of 348.45 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol is sourced from PubChem (CID 102211002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).