1,2,4-trimethyl-3-(3-methylphenoxy)benzene

C16H18O — CID 19792389

IUPAC1,2,4-trimethyl-3-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C16H18O/c1-11-6-5-7-15(10-11)17-16-13(3)9-8-12(2)14(16)4/h5-10H,1-4H3
InChIKeyMDSJXXRNNAROSD-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.71
Rot. Bonds2

About 1,2,4-trimethyl-3-(3-methylphenoxy)benzene

1,2,4-trimethyl-3-(3-methylphenoxy)benzene (PubChem CID 19792389) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,2,4-trimethyl-3-(3-methylphenoxy)benzene.

Molecular Properties

Compound Name1,2,4-trimethyl-3-(3-methylphenoxy)benzene
PubChem CID19792389
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1,2,4-trimethyl-3-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C16H18O/c1-11-6-5-7-15(10-11)17-16-13(3)9-8-12(2)14(16)4/h5-10H,1-4H3
InChIKeyMDSJXXRNNAROSD-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,4-trimethyl-3-(3-methylphenoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
2,3,6-trimethyl-4-(3-methylphenoxy)phenol
CID 18994518
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 79166452
2,3-bis(3-methylphenoxy)phenol
CID 139940679
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-iodo-2-methyl-4-(3-methylphenoxy)benzene
CID 135130038
3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane
CID 178008260
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
2-(3-methylphenoxy)pyrimidine
CID 20603792
2-methyl-4-(2,3,6-trimethylphenoxy)benzenecarbothioamide
CID 81278245
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3-(3-methylphenoxy)benzene?
The IUPAC name of 1,2,4-trimethyl-3-(3-methylphenoxy)benzene (CID 19792389) is 1,2,4-trimethyl-3-(3-methylphenoxy)benzene.
What is the SMILES notation for 1,2,4-trimethyl-3-(3-methylphenoxy)benzene?
The canonical SMILES for 1,2,4-trimethyl-3-(3-methylphenoxy)benzene is Cc1cccc(Oc2c(C)ccc(C)c2C)c1.
What is the InChIKey of 1,2,4-trimethyl-3-(3-methylphenoxy)benzene?
The InChIKey is MDSJXXRNNAROSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-6-5-7-15(10-11)17-16-13(3)9-8-12(2)14(16)4/h5-10H,1-4H3.
What are the key properties of 1,2,4-trimethyl-3-(3-methylphenoxy)benzene?
1,2,4-trimethyl-3-(3-methylphenoxy)benzene has a molecular weight of 226.32 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3-(3-methylphenoxy)benzene is sourced from PubChem (CID 19792389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).