4-ethynyl-2-methoxy-1-phenylbenzene

C15H12O — CID 12788025

IUPAC4-ethynyl-2-methoxy-1-phenylbenzene
SMILESC#Cc1ccc(-c2ccccc2)c(OC)c1
InChIInChI=1S/C15H12O/c1-3-12-9-10-14(15(11-12)16-2)13-7-5-4-6-8-13/h1,4-11H,2H3
InChIKeyAODRWJYAQARUQL-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.34
Rot. Bonds2

About 4-ethynyl-2-methoxy-1-phenylbenzene

4-ethynyl-2-methoxy-1-phenylbenzene (PubChem CID 12788025) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-ethynyl-2-methoxy-1-phenylbenzene.

Molecular Properties

Compound Name4-ethynyl-2-methoxy-1-phenylbenzene
PubChem CID12788025
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name4-ethynyl-2-methoxy-1-phenylbenzene
SMILESC#Cc1ccc(-c2ccccc2)c(OC)c1
InChIInChI=1S/C15H12O/c1-3-12-9-10-14(15(11-12)16-2)13-7-5-4-6-8-13/h1,4-11H,2H3
InChIKeyAODRWJYAQARUQL-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-ethynyl-2-methoxybenzene
CID 131857693
ethane;4-ethynyl-1,2-dimethoxybenzene
CID 91460620
1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508542
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
1-(4-ethylphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508535
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
4-ethynyl-2-phenyl-1-(2-phenylethynyl)benzene
CID 173472168
1-ethynyl-3,5-bis(2-phenylphenyl)benzene
CID 156748515
2-ethynyl-9,9-dimethyl-7-phenylfluorene
CID 59798595

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-methoxy-1-phenylbenzene?
The IUPAC name of 4-ethynyl-2-methoxy-1-phenylbenzene (CID 12788025) is 4-ethynyl-2-methoxy-1-phenylbenzene.
What is the SMILES notation for 4-ethynyl-2-methoxy-1-phenylbenzene?
The canonical SMILES for 4-ethynyl-2-methoxy-1-phenylbenzene is C#Cc1ccc(-c2ccccc2)c(OC)c1.
What is the InChIKey of 4-ethynyl-2-methoxy-1-phenylbenzene?
The InChIKey is AODRWJYAQARUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-3-12-9-10-14(15(11-12)16-2)13-7-5-4-6-8-13/h1,4-11H,2H3.
What are the key properties of 4-ethynyl-2-methoxy-1-phenylbenzene?
4-ethynyl-2-methoxy-1-phenylbenzene has a molecular weight of 208.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-methoxy-1-phenylbenzene is sourced from PubChem (CID 12788025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).