1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene

C15H18 — CID 123766505

IUPAC1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCc1ccc(C2=CC=C(C)CC2)cc1
InChIInChI=1S/C15H18/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h4,6-8,10-11H,3,5,9H2,1-2H3
InChIKeyUQDZLWDYJCCKMS-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.37
Rot. Bonds2

About 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene

1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene (PubChem CID 123766505) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene
PubChem CID123766505
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCc1ccc(C2=CC=C(C)CC2)cc1
InChIInChI=1S/C15H18/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h4,6-8,10-11H,3,5,9H2,1-2H3
InChIKeyUQDZLWDYJCCKMS-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)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-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene
CID 142940805
cyclohexa-1,3-dien-1-yl-[4-(4-ethylphenyl)cyclohexa-1,3-dien-1-yl]methanone
CID 66920697
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
1-bromo-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene
CID 71068147
1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene
CID 65174957
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
1,4-diethylbenzene;ethane;methane
CID 166131756

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene (CID 123766505) is 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene is CCc1ccc(C2=CC=C(C)CC2)cc1.
What is the InChIKey of 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is UQDZLWDYJCCKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h4,6-8,10-11H,3,5,9H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene?
1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 198.31 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 123766505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).