4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene

C17H16O — CID 142297569

IUPAC4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene
SMILESCOc1ccc(C#Cc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C17H16O/c1-13-4-6-15(7-5-13)8-9-16-10-11-17(18-3)12-14(16)2/h4-7,10-12H,1-3H3
InChIKeyUBJCDCDSVDNRTK-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.71
Rot. Bonds1

About 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene

4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene (PubChem CID 142297569) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene
PubChem CID142297569
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene
SMILESCOc1ccc(C#Cc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C17H16O/c1-13-4-6-15(7-5-13)8-9-16-10-11-17(18-3)12-14(16)2/h4-7,10-12H,1-3H3
InChIKeyUBJCDCDSVDNRTK-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.71
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

1,3-bis[2-(4-methoxyphenyl)ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene
CID 159712013
1,3-dimethoxy-5-[2-(4-methylphenyl)ethynyl]benzene
CID 146003189
2-[2-(4-methoxyphenyl)ethynyl]-5-methylaniline
CID 18738935
1-ethynyl-4-[2-(4-methoxyphenyl)ethynyl]-2-methylbenzene
CID 141349431
2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene
CID 102082039
N-(4-methoxyphenyl)-N-[4-[2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethynyl]phenyl]-4-methylaniline
CID 18996688
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
2,4-dimethyl-1-[2-(4-methylphenyl)ethynyl]benzene;1-[2-(4-ethylphenyl)ethynyl]-2,4-dimethylbenzene
CID 158296087
1-[2-(2-fluoro-4-methylphenyl)ethynyl]-5-methoxy-2-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 21359627
1-[2-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 21359661
3-(4-methoxy-2-methylphenyl)-1-phenylprop-2-yn-1-one
CID 102133146
1-[2-(2-fluoro-4-methylphenyl)ethynyl]-2,5-dimethyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 21359625

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene?
The IUPAC name of 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene (CID 142297569) is 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene.
What is the SMILES notation for 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene?
The canonical SMILES for 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene is COc1ccc(C#Cc2ccc(C)cc2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene?
The InChIKey is UBJCDCDSVDNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-13-4-6-15(7-5-13)8-9-16-10-11-17(18-3)12-14(16)2/h4-7,10-12H,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene?
4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene has a molecular weight of 236.31 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]benzene is sourced from PubChem (CID 142297569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).