ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene

C23H34 — CID 123671518

IUPACethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
SMILESCC.CC.Cc1ccc(C2(c3ccc(C)cc3)CCCC2)cc1
InChIInChI=1S/C19H22.2C2H6/c1-15-5-9-17(10-6-15)19(13-3-4-14-19)18-11-7-16(2)8-12-18;2*1-2/h5-12H,3-4,13-14H2,1-2H3;2*1-2H3
InChIKeyIGWIXDHEQKPGRF-UHFFFAOYSA-N
MW310.53 g/mol
LogP7.22
Rot. Bonds2

About ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene

ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene (PubChem CID 123671518) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
PubChem CID123671518
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Nameethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
SMILESCC.CC.Cc1ccc(C2(c3ccc(C)cc3)CCCC2)cc1
InChIInChI=1S/C19H22.2C2H6/c1-15-5-9-17(10-6-15)19(13-3-4-14-19)18-11-7-16(2)8-12-18;2*1-2/h5-12H,3-4,13-14H2,1-2H3;2*1-2H3
InChIKeyIGWIXDHEQKPGRF-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 156728878
4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 87837292
1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium
CID 58534635
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline
CID 58312147
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 68590819
(1S,6S)-1,6-bis(4-methylphenyl)bicyclo[4.2.0]octane
CID 15247724
4,4-bis(4-methylphenyl)cyclohexan-1-one
CID 58095705
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene?
The IUPAC name of ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene (CID 123671518) is ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene is CC.CC.Cc1ccc(C2(c3ccc(C)cc3)CCCC2)cc1.
What is the InChIKey of ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene?
The InChIKey is IGWIXDHEQKPGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22.2C2H6/c1-15-5-9-17(10-6-15)19(13-3-4-14-19)18-11-7-16(2)8-12-18;2*1-2/h5-12H,3-4,13-14H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene?
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene has a molecular weight of 310.53 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene is sourced from PubChem (CID 123671518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).