4-ethyl-1-methyl-2-(3-methylphenyl)benzene

C16H18 — CID 91311090

IUPAC4-ethyl-1-methyl-2-(3-methylphenyl)benzene
SMILESCCc1ccc(C)c(-c2cccc(C)c2)c1
InChIInChI=1S/C16H18/c1-4-14-9-8-13(3)16(11-14)15-7-5-6-12(2)10-15/h5-11H,4H2,1-3H3
InChIKeyMJAHDZCIGRODIA-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.53
Rot. Bonds2

About 4-ethyl-1-methyl-2-(3-methylphenyl)benzene

4-ethyl-1-methyl-2-(3-methylphenyl)benzene (PubChem CID 91311090) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-(3-methylphenyl)benzene.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-(3-methylphenyl)benzene
PubChem CID91311090
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name4-ethyl-1-methyl-2-(3-methylphenyl)benzene
SMILESCCc1ccc(C)c(-c2cccc(C)c2)c1
InChIInChI=1S/C16H18/c1-4-14-9-8-13(3)16(11-14)15-7-5-6-12(2)10-15/h5-11H,4H2,1-3H3
InChIKeyMJAHDZCIGRODIA-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-chlorophenyl)-4-ethyl-1-methylbenzene
CID 90994184
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
2-ethyl-4-methylazulene
CID 154376639
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
1-ethyl-3-methylbenzene;methanamine
CID 167447790
1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
CID 142855411
1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene
CID 82119406
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-(3-methylphenyl)benzene?
The IUPAC name of 4-ethyl-1-methyl-2-(3-methylphenyl)benzene (CID 91311090) is 4-ethyl-1-methyl-2-(3-methylphenyl)benzene.
What is the SMILES notation for 4-ethyl-1-methyl-2-(3-methylphenyl)benzene?
The canonical SMILES for 4-ethyl-1-methyl-2-(3-methylphenyl)benzene is CCc1ccc(C)c(-c2cccc(C)c2)c1.
What is the InChIKey of 4-ethyl-1-methyl-2-(3-methylphenyl)benzene?
The InChIKey is MJAHDZCIGRODIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-4-14-9-8-13(3)16(11-14)15-7-5-6-12(2)10-15/h5-11H,4H2,1-3H3.
What are the key properties of 4-ethyl-1-methyl-2-(3-methylphenyl)benzene?
4-ethyl-1-methyl-2-(3-methylphenyl)benzene has a molecular weight of 210.32 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-(3-methylphenyl)benzene is sourced from PubChem (CID 91311090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).