2-[2-(2-phenylphenyl)ethynyl]phenol

C20H14O — CID 166448690

IUPAC2-[2-(2-phenylphenyl)ethynyl]phenol
SMILESOc1ccccc1C#Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H14O/c21-20-13-7-5-11-18(20)15-14-17-10-4-6-12-19(17)16-8-2-1-3-9-16/h1-13,21H
InChIKeyNYOBZXYYZMPHED-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.46
Rot. Bonds1

About 2-[2-(2-phenylphenyl)ethynyl]phenol

2-[2-(2-phenylphenyl)ethynyl]phenol (PubChem CID 166448690) has the molecular formula C20H14O and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-(2-phenylphenyl)ethynyl]phenol.

Molecular Properties

Compound Name2-[2-(2-phenylphenyl)ethynyl]phenol
PubChem CID166448690
Molecular FormulaC20H14O
Molecular Weight270.33 g/mol
Exact Mass270.10
IUPAC Name2-[2-(2-phenylphenyl)ethynyl]phenol
SMILESOc1ccccc1C#Cc1ccccc1-c1ccccc1
InChIInChI=1S/C20H14O/c21-20-13-7-5-11-18(20)15-14-17-10-4-6-12-19(17)16-8-2-1-3-9-16/h1-13,21H
InChIKeyNYOBZXYYZMPHED-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.46
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-(2-hydroxyphenyl)ethynyl]phenol
CID 10560378
carbanide;2-phenylphenol;titanium(3+)
CID 59317555
2-[2-[2-[2-(2-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419208
2-[2-(2-phenylphenyl)ethynyl]thiophene
CID 11357429
2-phenylbenzonitrile;urea
CID 162064762
oxalic acid;2-phenylphenol
CID 162319962
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
1-(4-methoxybut-1-ynyl)-2-phenylbenzene
CID 177491887
2-[2-(4-methylphenyl)ethynyl]phenol
CID 20579578
2-(2-pyridin-4-ylethynyl)phenol
CID 175485114
chlorobenzene;2-phenylphenol
CID 161060319
1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylphenyl)ethynyl]phenol?
The IUPAC name of 2-[2-(2-phenylphenyl)ethynyl]phenol (CID 166448690) is 2-[2-(2-phenylphenyl)ethynyl]phenol.
What is the SMILES notation for 2-[2-(2-phenylphenyl)ethynyl]phenol?
The canonical SMILES for 2-[2-(2-phenylphenyl)ethynyl]phenol is Oc1ccccc1C#Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-(2-phenylphenyl)ethynyl]phenol?
The InChIKey is NYOBZXYYZMPHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O/c21-20-13-7-5-11-18(20)15-14-17-10-4-6-12-19(17)16-8-2-1-3-9-16/h1-13,21H.
What are the key properties of 2-[2-(2-phenylphenyl)ethynyl]phenol?
2-[2-(2-phenylphenyl)ethynyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylphenyl)ethynyl]phenol is sourced from PubChem (CID 166448690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).