1-methoxy-4-(2-phenylethynoxy)benzene

C15H12O2 — CID 154395272

IUPAC1-methoxy-4-(2-phenylethynoxy)benzene
SMILESCOc1ccc(OC#Cc2ccccc2)cc1
InChIInChI=1S/C15H12O2/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyRKDRJTRCTCPTQK-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.08
Rot. Bonds2

About 1-methoxy-4-(2-phenylethynoxy)benzene

1-methoxy-4-(2-phenylethynoxy)benzene (PubChem CID 154395272) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-methoxy-4-(2-phenylethynoxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-phenylethynoxy)benzene
PubChem CID154395272
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1-methoxy-4-(2-phenylethynoxy)benzene
SMILESCOc1ccc(OC#Cc2ccccc2)cc1
InChIInChI=1S/C15H12O2/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyRKDRJTRCTCPTQK-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
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
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
N-tert-butyl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
CID 71659055
2-(4-methoxyphenyl)-3-(2-phenylethynyl)aniline
CID 141396023
1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594546
N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
CID 10037064
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
2-[2-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419198
2-(4-methoxyphenyl)ethynyl-triphenylphosphanium
CID 23415442
3-[2-(4-methoxyphenyl)ethynyl]phenol
CID 53439775
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-phenylethynoxy)benzene?
The IUPAC name of 1-methoxy-4-(2-phenylethynoxy)benzene (CID 154395272) is 1-methoxy-4-(2-phenylethynoxy)benzene.
What is the SMILES notation for 1-methoxy-4-(2-phenylethynoxy)benzene?
The canonical SMILES for 1-methoxy-4-(2-phenylethynoxy)benzene is COc1ccc(OC#Cc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(2-phenylethynoxy)benzene?
The InChIKey is RKDRJTRCTCPTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 1-methoxy-4-(2-phenylethynoxy)benzene?
1-methoxy-4-(2-phenylethynoxy)benzene has a molecular weight of 224.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-phenylethynoxy)benzene is sourced from PubChem (CID 154395272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).