5-(4-methoxyphenyl)-1,2,3-trimethylbenzene

C16H18O — CID 132540116

IUPAC5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
SMILESCOc1ccc(-c2cc(C)c(C)c(C)c2)cc1
InChIInChI=1S/C16H18O/c1-11-9-15(10-12(2)13(11)3)14-5-7-16(17-4)8-6-14/h5-10H,1-4H3
InChIKeyVZWNHJQBOCLLJP-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.29
Rot. Bonds2

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

5-(4-methoxyphenyl)-1,2,3-trimethylbenzene (PubChem CID 132540116) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
PubChem CID132540116
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
SMILESCOc1ccc(-c2cc(C)c(C)c(C)c2)cc1
InChIInChI=1S/C16H18O/c1-11-9-15(10-12(2)13(11)3)14-5-7-16(17-4)8-6-14/h5-10H,1-4H3
InChIKeyVZWNHJQBOCLLJP-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
1-(methoxymethyl)-4-(4-methoxyphenyl)-2-methylbenzene
CID 91108863
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
CID 102035727
7-methoxy-1-methyl-3-phenylnaphthalene
CID 53497213
1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium
CID 168892691

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene?
The IUPAC name of 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene (CID 132540116) is 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene?
The canonical SMILES for 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene is COc1ccc(-c2cc(C)c(C)c(C)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene?
The InChIKey is VZWNHJQBOCLLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-9-15(10-12(2)13(11)3)14-5-7-16(17-4)8-6-14/h5-10H,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene?
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene has a molecular weight of 226.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,2,3-trimethylbenzene is sourced from PubChem (CID 132540116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).