1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene

C22H28 — CID 20579999

IUPAC1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h3-4,7-8,11-12,15-16,18,21H,5-6,9-10,13-14H2,1-2H3
InChIKeyDFWNBKSAOMSRNV-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.07
Rot. Bonds4

About 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene

1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene (PubChem CID 20579999) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
PubChem CID20579999
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h3-4,7-8,11-12,15-16,18,21H,5-6,9-10,13-14H2,1-2H3
InChIKeyDFWNBKSAOMSRNV-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene
CID 59931336
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone
CID 59938752
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
CID 67733492
1,4-bis(4-methylphenyl)benzene;1-(fluoromethoxy)-4-methylbenzene;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
CID 167583107
ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
CID 54304761
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene (CID 20579999) is 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene is Cc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The InChIKey is DFWNBKSAOMSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h3-4,7-8,11-12,15-16,18,21H,5-6,9-10,13-14H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene has a molecular weight of 292.47 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene is sourced from PubChem (CID 20579999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).