1,1-diphenylbut-2-yn-1-ol

C16H14O — CID 569279

IUPAC1,1-diphenylbut-2-yn-1-ol
SMILESCC#CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,1H3
InChIKeyDNPLZGLNEGAZNC-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.95
Rot. Bonds2

About 1,1-diphenylbut-2-yn-1-ol

1,1-diphenylbut-2-yn-1-ol (PubChem CID 569279) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,1-diphenylbut-2-yn-1-ol.

Molecular Properties

Compound Name1,1-diphenylbut-2-yn-1-ol
PubChem CID569279
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1,1-diphenylbut-2-yn-1-ol
SMILESCC#CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,1H3
InChIKeyDNPLZGLNEGAZNC-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.95
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

1,1-diphenylpent-2-yn-1-ol
CID 155311786
1-(4-methylthiadiazol-5-yl)-1-phenylbut-2-yn-1-ol
CID 174925735
3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol
CID 135071972
1-(3,4-dichloro-1,2-thiazol-5-yl)-1-phenylbut-2-yn-1-ol
CID 174925751
5,5-dimethyl-1,1-diphenylhex-2-yne-1,4-diol
CID 71489134
bis(N,N-dimethylformamide);1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol
CID 139195473
3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol
CID 13266406
4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol
CID 2835423
2-methyl-2-phenylpent-3-yn-1-ol
CID 100928293
1,1-diphenylprop-2-yn-1-ol;ethane;rubidium(1+)
CID 157294897
magnesium;1,1-diphenylbut-2-yn-1-olate;chloride
CID 162464571
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylbut-2-yn-1-ol?
The IUPAC name of 1,1-diphenylbut-2-yn-1-ol (CID 569279) is 1,1-diphenylbut-2-yn-1-ol.
What is the SMILES notation for 1,1-diphenylbut-2-yn-1-ol?
The canonical SMILES for 1,1-diphenylbut-2-yn-1-ol is CC#CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylbut-2-yn-1-ol?
The InChIKey is DNPLZGLNEGAZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,1H3.
What are the key properties of 1,1-diphenylbut-2-yn-1-ol?
1,1-diphenylbut-2-yn-1-ol has a molecular weight of 222.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylbut-2-yn-1-ol is sourced from PubChem (CID 569279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).