1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene

C23H30 — CID 22420628

IUPAC1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene
SMILESCCc1cccc(C2(c3cccc(CC)c3)CCC(C)CC2)c1
InChIInChI=1S/C23H30/c1-4-19-8-6-10-21(16-19)23(14-12-18(3)13-15-23)22-11-7-9-20(5-2)17-22/h6-11,16-18H,4-5,12-15H2,1-3H3
InChIKeyMEDOWXJGFCHEKO-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.31
Rot. Bonds4

About 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene

1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene (PubChem CID 22420628) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene.

Molecular Properties

Compound Name1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene
PubChem CID22420628
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene
SMILESCCc1cccc(C2(c3cccc(CC)c3)CCC(C)CC2)c1
InChIInChI=1S/C23H30/c1-4-19-8-6-10-21(16-19)23(14-12-18(3)13-15-23)22-11-7-9-20(5-2)17-22/h6-11,16-18H,4-5,12-15H2,1-3H3
InChIKeyMEDOWXJGFCHEKO-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-(1-phenylcyclopropyl)benzene
CID 142848757
1-(1,4-dimethylcyclohexyl)-4-ethylbenzene
CID 71423616
3-(3-ethylphenyl)-3-methylcyclopentan-1-amine
CID 116538959
[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
CID 116604116
1-(3-ethylphenyl)-2-methoxycyclohexan-1-ol
CID 106873797
3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
CID 142058084
1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene
CID 142885286
N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
CID 21307110
4-(3-ethylphenyl)piperidine-4-carbonitrile
CID 23587408
ethylbenzene;methylcyclobutane
CID 176989756

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene?
The IUPAC name of 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene (CID 22420628) is 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene.
What is the SMILES notation for 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene?
The canonical SMILES for 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene is CCc1cccc(C2(c3cccc(CC)c3)CCC(C)CC2)c1.
What is the InChIKey of 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene?
The InChIKey is MEDOWXJGFCHEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-4-19-8-6-10-21(16-19)23(14-12-18(3)13-15-23)22-11-7-9-20(5-2)17-22/h6-11,16-18H,4-5,12-15H2,1-3H3.
What are the key properties of 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene?
1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene has a molecular weight of 306.49 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene is sourced from PubChem (CID 22420628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).