1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene

C21H32 — CID 158679875

IUPAC1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
SMILESCc1cccc(CC2CCC(C3CCC(C)CC3)CC2)c1
InChIInChI=1S/C21H32/c1-16-6-10-20(11-7-16)21-12-8-18(9-13-21)15-19-5-3-4-17(2)14-19/h3-5,14,16,18,20-21H,6-13,15H2,1-2H3
InChIKeyJGTDEGNGQMQXEC-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.17
Rot. Bonds3

About 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene

1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene (PubChem CID 158679875) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
PubChem CID158679875
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
SMILESCc1cccc(CC2CCC(C3CCC(C)CC3)CC2)c1
InChIInChI=1S/C21H32/c1-16-6-10-20(11-7-16)21-12-8-18(9-13-21)15-19-5-3-4-17(2)14-19/h3-5,14,16,18,20-21H,6-13,15H2,1-2H3
InChIKeyJGTDEGNGQMQXEC-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
1-methyl-3-[1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenyl]benzene
CID 142035301
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
ethane;methylcyclopropane;1,3-xylene
CID 142338532
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane
CID 175699539
1,3-dimethyl-5-[[4-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;yttrium
CID 59931202

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene?
The IUPAC name of 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene (CID 158679875) is 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene.
What is the SMILES notation for 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene?
The canonical SMILES for 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene is Cc1cccc(CC2CCC(C3CCC(C)CC3)CC2)c1.
What is the InChIKey of 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene?
The InChIKey is JGTDEGNGQMQXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-16-6-10-20(11-7-16)21-12-8-18(9-13-21)15-19-5-3-4-17(2)14-19/h3-5,14,16,18,20-21H,6-13,15H2,1-2H3.
What are the key properties of 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene?
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene has a molecular weight of 284.49 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene is sourced from PubChem (CID 158679875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).