2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene

C18H20O — CID 10890406

IUPAC2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
SMILESC=C(c1ccc(OC)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H20O/c1-12-10-13(2)18(14(3)11-12)15(4)16-6-8-17(19-5)9-7-16/h6-11H,4H2,1-3,5H3
InChIKeyPRGOFZATVNHJFW-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.68
Rot. Bonds3

About 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene

2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene (PubChem CID 10890406) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
PubChem CID10890406
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
SMILESC=C(c1ccc(OC)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H20O/c1-12-10-13(2)18(14(3)11-12)15(4)16-6-8-17(19-5)9-7-16/h6-11H,4H2,1-3,5H3
InChIKeyPRGOFZATVNHJFW-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylbenzene
CID 165346994
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 162199896
1-methoxy-4-[1-(2-methylphenyl)ethenyl]benzene
CID 25187424
2-ethenyl-1-[1-(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 143770467
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
1-[3,4-dimethylidene-5-(4-methylphenyl)hexa-1,5-dien-2-yl]-4-methoxybenzene
CID 162401228
2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole
CID 22971799
2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 177439881
1,2,4-trimethyl-5-[1-(2,4,6-trimethylphenyl)ethenyl]benzene
CID 102082358
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene (CID 10890406) is 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene is C=C(c1ccc(OC)cc1)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene?
The InChIKey is PRGOFZATVNHJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-12-10-13(2)18(14(3)11-12)15(4)16-6-8-17(19-5)9-7-16/h6-11H,4H2,1-3,5H3.
What are the key properties of 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene?
2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene has a molecular weight of 252.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 10890406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).