2-[2-(2-phenylethynyl)phenyl]propan-2-ol

C17H16O — CID 168864374

IUPAC2-[2-(2-phenylethynyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C17H16O/c1-17(2,18)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-11,18H,1-2H3
InChIKeyCMDISNSJTGUPJO-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.31
Rot. Bonds1

About 2-[2-(2-phenylethynyl)phenyl]propan-2-ol

2-[2-(2-phenylethynyl)phenyl]propan-2-ol (PubChem CID 168864374) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(2-phenylethynyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-phenylethynyl)phenyl]propan-2-ol
PubChem CID168864374
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-[2-(2-phenylethynyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C17H16O/c1-17(2,18)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-11,18H,1-2H3
InChIKeyCMDISNSJTGUPJO-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.31
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

2-(2-hydroxypropan-2-yl)benzonitrile
CID 67754511
N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide
CID 86605948
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol
CID 11289604
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
3-(2-tert-butylphenyl)prop-2-yn-1-ol
CID 58989890
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
1,5-bis(4-methylphenyl)-3-(2-prop-1-ynylphenyl)penta-1,4-diyn-3-ol
CID 176908101
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
tert-butyl 2-(2-phenylethynyl)benzoate
CID 11334935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethynyl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(2-phenylethynyl)phenyl]propan-2-ol (CID 168864374) is 2-[2-(2-phenylethynyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-phenylethynyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(2-phenylethynyl)phenyl]propan-2-ol is CC(C)(O)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethynyl)phenyl]propan-2-ol?
The InChIKey is CMDISNSJTGUPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-17(2,18)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-11,18H,1-2H3.
What are the key properties of 2-[2-(2-phenylethynyl)phenyl]propan-2-ol?
2-[2-(2-phenylethynyl)phenyl]propan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethynyl)phenyl]propan-2-ol is sourced from PubChem (CID 168864374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).