1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene

C27H36 — CID 58122658

IUPAC1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene
SMILESCc1ccc(C2CCC(CCCC3CCC(c4ccc(C)cc4)C3)C2)cc1
InChIInChI=1S/C27H36/c1-20-6-12-24(13-7-20)26-16-10-22(18-26)4-3-5-23-11-17-27(19-23)25-14-8-21(2)9-15-25/h6-9,12-15,22-23,26-27H,3-5,10-11,16-19H2,1-2H3
InChIKeyIJHAZULAKYXOPK-UHFFFAOYSA-N
MW360.59 g/mol
LogP7.94
Rot. Bonds6

About 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene

1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene (PubChem CID 58122658) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene
PubChem CID58122658
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene
SMILESCc1ccc(C2CCC(CCCC3CCC(c4ccc(C)cc4)C3)C2)cc1
InChIInChI=1S/C27H36/c1-20-6-12-24(13-7-20)26-16-10-22(18-26)4-3-5-23-11-17-27(19-23)25-14-8-21(2)9-15-25/h6-9,12-15,22-23,26-27H,3-5,10-11,16-19H2,1-2H3
InChIKeyIJHAZULAKYXOPK-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-methylphenyl)cyclopentyl]ethanamine
CID 82282657
2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid
CID 71082160
1-[(1S)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-4-methylbenzene
CID 89257780
2-hexyl-6-[4-(4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867836
2-(4-hexylcyclohexyl)-6-(4-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837111
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
(4aR,4bR,8aR)-2-(4-methylphenyl)-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 21032637
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene
CID 155216112
[3-(4-methylphenyl)cyclobutyl]methanamine
CID 83635912
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene?
The IUPAC name of 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene (CID 58122658) is 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene.
What is the SMILES notation for 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene?
The canonical SMILES for 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene is Cc1ccc(C2CCC(CCCC3CCC(c4ccc(C)cc4)C3)C2)cc1.
What is the InChIKey of 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene?
The InChIKey is IJHAZULAKYXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-20-6-12-24(13-7-20)26-16-10-22(18-26)4-3-5-23-11-17-27(19-23)25-14-8-21(2)9-15-25/h6-9,12-15,22-23,26-27H,3-5,10-11,16-19H2,1-2H3.
What are the key properties of 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene?
1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene has a molecular weight of 360.59 g/mol, XLogP of 7.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene is sourced from PubChem (CID 58122658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).