1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene

C16H24 — CID 167535995

IUPAC1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
SMILESCCC1CCCC(Cc2cccc(C)c2)C1
InChIInChI=1S/C16H24/c1-3-14-7-5-9-16(11-14)12-15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3
InChIKeyJIFVGDUGTPBZHX-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.75
Rot. Bonds3

About 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene

1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene (PubChem CID 167535995) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
PubChem CID167535995
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
SMILESCCC1CCCC(Cc2cccc(C)c2)C1
InChIInChI=1S/C16H24/c1-3-14-7-5-9-16(11-14)12-15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3
InChIKeyJIFVGDUGTPBZHX-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane
CID 67980113
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid
CID 79418060
[1-(3-ethylcyclohexyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105313791
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
3-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 64520140
1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde
CID 88539733
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene?
The IUPAC name of 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene (CID 167535995) is 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene.
What is the SMILES notation for 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene?
The canonical SMILES for 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene is CCC1CCCC(Cc2cccc(C)c2)C1.
What is the InChIKey of 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene?
The InChIKey is JIFVGDUGTPBZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-14-7-5-9-16(11-14)12-15-8-4-6-13(2)10-15/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene?
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene has a molecular weight of 216.37 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene is sourced from PubChem (CID 167535995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).