3-[2-(4-methoxyphenyl)ethynyl]phenol

C15H12O2 — CID 53439775

IUPAC3-[2-(4-methoxyphenyl)ethynyl]phenol
SMILESCOc1ccc(C#Cc2cccc(O)c2)cc1
InChIInChI=1S/C15H12O2/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-4,7-11,16H,1H3
InChIKeyGWEOSAXOQYMOHS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.80
Rot. Bonds1

About 3-[2-(4-methoxyphenyl)ethynyl]phenol

3-[2-(4-methoxyphenyl)ethynyl]phenol (PubChem CID 53439775) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethynyl]phenol.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethynyl]phenol
PubChem CID53439775
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3-[2-(4-methoxyphenyl)ethynyl]phenol
SMILESCOc1ccc(C#Cc2cccc(O)c2)cc1
InChIInChI=1S/C15H12O2/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-4,7-11,16H,1H3
InChIKeyGWEOSAXOQYMOHS-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
3-[2-[4-[3,5-bis[4-[2-(3-hydroxyphenyl)ethynyl]phenyl]phenyl]phenyl]ethynyl]phenol
CID 118967630
(NE)-N-[[3-[2-(4-methoxyphenyl)ethynyl]phenyl]methylidene]hydroxylamine
CID 15181398
sodium 3-methoxyphenol
CID 19079440
2,7-bis[2-(3-methoxyphenyl)ethynyl]naphthalene
CID 171920371
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
methyl 3-[4-[2-(3-hydroxyphenyl)ethynyl]phenyl]propanoate
CID 58319096
6-[2-(4-methoxyphenyl)ethynyl]benzene-1,2,4-triol
CID 170173092
1-[3,5-bis[2-(4-methoxyphenyl)ethynyl]phenyl]-3,5-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 102282889
ethane;3-methoxyphenol
CID 142018283
1,3-bis[2-(4-methoxyphenyl)ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene
CID 159712013
1-(2-diphenylphosphorylethynyl)-3-[2-(4-methoxyphenyl)ethynyl]benzene
CID 102124566

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethynyl]phenol?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethynyl]phenol (CID 53439775) is 3-[2-(4-methoxyphenyl)ethynyl]phenol.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethynyl]phenol?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethynyl]phenol is COc1ccc(C#Cc2cccc(O)c2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethynyl]phenol?
The InChIKey is GWEOSAXOQYMOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-4,7-11,16H,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethynyl]phenol?
3-[2-(4-methoxyphenyl)ethynyl]phenol has a molecular weight of 224.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethynyl]phenol is sourced from PubChem (CID 53439775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).