3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol

C18H16O — CID 135071972

IUPAC3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol
SMILESOC(C#CC1CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O/c19-18(14-13-15-11-12-15,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-12H2
InChIKeyPWDSVHXPNKQQDW-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.34
Rot. Bonds2

About 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol

3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol (PubChem CID 135071972) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol
PubChem CID135071972
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol
SMILESOC(C#CC1CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O/c19-18(14-13-15-11-12-15,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-12H2
InChIKeyPWDSVHXPNKQQDW-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.34
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

3-(1-methylpiperidin-4-yl)-1,1-diphenylprop-2-yn-1-ol
CID 13266406
1,1-diphenylbut-2-yn-1-ol
CID 569279
3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol
CID 3790624
1,1-diphenylpent-2-yn-1-ol
CID 155311786
4-(2-methylpyrrolidin-1-ium-1-yl)-1,1-diphenylbut-2-yn-1-ol
CID 4034233
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
4-(2-methylpiperidin-1-ium-1-yl)-1,1-diphenylbut-2-yn-1-ol chloride
CID 44659605
2-[5-chloro-2-(2-phenylpropan-2-ylamino)phenyl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
CID 15449197
1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
CID 46944475
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 134856178

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol?
The IUPAC name of 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol (CID 135071972) is 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol.
What is the SMILES notation for 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol?
The canonical SMILES for 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol is OC(C#CC1CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol?
The InChIKey is PWDSVHXPNKQQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-18(14-13-15-11-12-15,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-12H2.
What are the key properties of 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol?
3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol has a molecular weight of 248.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,1-diphenylprop-2-yn-1-ol is sourced from PubChem (CID 135071972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).