1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene

C16H18O — CID 67556723

IUPAC1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene
SMILESCOc1ccc(C)c(C)c1-c1ccc(C)cc1
InChIInChI=1S/C16H18O/c1-11-5-8-14(9-6-11)16-13(3)12(2)7-10-15(16)17-4/h5-10H,1-4H3
InChIKeyQVUXVNPGTAQLCL-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.29
Rot. Bonds2

About 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene

1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene (PubChem CID 67556723) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene
PubChem CID67556723
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene
SMILESCOc1ccc(C)c(C)c1-c1ccc(C)cc1
InChIInChI=1S/C16H18O/c1-11-5-8-14(9-6-11)16-13(3)12(2)7-10-15(16)17-4/h5-10H,1-4H3
InChIKeyQVUXVNPGTAQLCL-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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene?
The IUPAC name of 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene (CID 67556723) is 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene?
The canonical SMILES for 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene is COc1ccc(C)c(C)c1-c1ccc(C)cc1.
What is the InChIKey of 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene?
The InChIKey is QVUXVNPGTAQLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-5-8-14(9-6-11)16-13(3)12(2)7-10-15(16)17-4/h5-10H,1-4H3.
What are the key properties of 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene?
1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene 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 1-methoxy-3,4-dimethyl-2-(4-methylphenyl)benzene is sourced from PubChem (CID 67556723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).