2-[2-(4-methylphenyl)ethynyl]phenol

C15H12O — CID 20579578

IUPAC2-[2-(4-methylphenyl)ethynyl]phenol
SMILESCc1ccc(C#Cc2ccccc2O)cc1
InChIInChI=1S/C15H12O/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-9,16H,1H3
InChIKeyDUYBPOAUCNZYHH-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.10
Rot. Bonds

About 2-[2-(4-methylphenyl)ethynyl]phenol

2-[2-(4-methylphenyl)ethynyl]phenol (PubChem CID 20579578) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethynyl]phenol.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethynyl]phenol
PubChem CID20579578
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name2-[2-(4-methylphenyl)ethynyl]phenol
SMILESCc1ccc(C#Cc2ccccc2O)cc1
InChIInChI=1S/C15H12O/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-9,16H,1H3
InChIKeyDUYBPOAUCNZYHH-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[2-(4-methylphenyl)ethynyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
2-[2-(2-hydroxyphenyl)ethynyl]phenol
CID 10560378
1-methyl-4-[2-(2-methylsulfanylphenyl)ethynyl]benzene
CID 151692621
2-(2-pyridin-4-ylethynyl)phenol
CID 175485114
ethyl 4-[2-(2-hydroxyphenyl)ethynyl]benzoate
CID 22104575
1,3-dimethyl-5-[2-(4-methylphenyl)ethynyl]benzene
CID 15317762
2-[2-(4-methylphenyl)ethynyl]-N-phenylbenzamide
CID 102453859
2-methyl-4-(2-phenylethynyl)phenol
CID 59263622
1,1-bis(4-bromophenyl)-3-[2-[2-(4-methylphenyl)ethynyl]phenyl]prop-2-yn-1-ol
CID 141425139
1,5-bis(4-methylphenyl)-3-(2-prop-1-ynylphenyl)penta-1,4-diyn-3-ol
CID 176908101
2-[2-[2-[2-(2-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419208

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethynyl]phenol?
The IUPAC name of 2-[2-(4-methylphenyl)ethynyl]phenol (CID 20579578) is 2-[2-(4-methylphenyl)ethynyl]phenol.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethynyl]phenol?
The canonical SMILES for 2-[2-(4-methylphenyl)ethynyl]phenol is Cc1ccc(C#Cc2ccccc2O)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethynyl]phenol?
The InChIKey is DUYBPOAUCNZYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-9,16H,1H3.
What are the key properties of 2-[2-(4-methylphenyl)ethynyl]phenol?
2-[2-(4-methylphenyl)ethynyl]phenol has a molecular weight of 208.26 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethynyl]phenol is sourced from PubChem (CID 20579578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).