2-methyl-4-(2-phenylethynyl)phenol

C15H12O — CID 59263622

IUPAC2-methyl-4-(2-phenylethynyl)phenol
SMILESCc1cc(C#Cc2ccccc2)ccc1O
InChIInChI=1S/C15H12O/c1-12-11-14(9-10-15(12)16)8-7-13-5-3-2-4-6-13/h2-6,9-11,16H,1H3
InChIKeyVPSFVQHPVPXMRR-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.10
Rot. Bonds

About 2-methyl-4-(2-phenylethynyl)phenol

2-methyl-4-(2-phenylethynyl)phenol (PubChem CID 59263622) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethynyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethynyl)phenol
PubChem CID59263622
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name2-methyl-4-(2-phenylethynyl)phenol
SMILESCc1cc(C#Cc2ccccc2)ccc1O
InChIInChI=1S/C15H12O/c1-12-11-14(9-10-15(12)16)8-7-13-5-3-2-4-6-13/h2-6,9-11,16H,1H3
InChIKeyVPSFVQHPVPXMRR-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'}

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Related Compounds

1,2-dimethyl-4-[2-(4-phenylphenyl)ethynyl]benzene
CID 143505044
1-[2-hydroxy-5-(2-phenylethynyl)phenyl]propan-2-one
CID 10901053
4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol
CID 59887147
methyl 2-hydroxy-4-(2-phenylethynyl)benzoate
CID 90333703
2-ethyl-5-(2-phenylethynyl)benzene-1,3-diol
CID 122603261
2-[2-(4-methylphenyl)ethynyl]phenol
CID 20579578
2-nitro-4-(2-phenylethynyl)phenol
CID 70533673
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-fluoro-4-[2-(3-fluoro-4-methylphenyl)ethynyl]-1-(2-phenylethynyl)benzene
CID 59927833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethynyl)phenol?
The IUPAC name of 2-methyl-4-(2-phenylethynyl)phenol (CID 59263622) is 2-methyl-4-(2-phenylethynyl)phenol.
What is the SMILES notation for 2-methyl-4-(2-phenylethynyl)phenol?
The canonical SMILES for 2-methyl-4-(2-phenylethynyl)phenol is Cc1cc(C#Cc2ccccc2)ccc1O.
What is the InChIKey of 2-methyl-4-(2-phenylethynyl)phenol?
The InChIKey is VPSFVQHPVPXMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-12-11-14(9-10-15(12)16)8-7-13-5-3-2-4-6-13/h2-6,9-11,16H,1H3.
What are the key properties of 2-methyl-4-(2-phenylethynyl)phenol?
2-methyl-4-(2-phenylethynyl)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-methyl-4-(2-phenylethynyl)phenol is sourced from PubChem (CID 59263622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).