1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene

C29H40 — CID 58932728

IUPAC1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(Cc4ccc(C)cc4)cc3)CC2)CC1
InChIInChI=1S/C29H40/c1-3-4-23-9-13-26(14-10-23)28-17-19-29(20-18-28)27-15-11-25(12-16-27)21-24-7-5-22(2)6-8-24/h5-8,11-12,15-16,23,26,28-29H,3-4,9-10,13-14,17-21H2,1-2H3
InChIKeyPTTDVBBNHOEWCR-UHFFFAOYSA-N
MW388.64 g/mol
LogP8.47
Rot. Bonds6

About 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene

1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene (PubChem CID 58932728) has the molecular formula C29H40 and a molecular weight of 388.64 g/mol. Its IUPAC name is 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
PubChem CID58932728
Molecular FormulaC29H40
Molecular Weight388.64 g/mol
Exact Mass388.31
IUPAC Name1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(Cc4ccc(C)cc4)cc3)CC2)CC1
InChIInChI=1S/C29H40/c1-3-4-23-9-13-26(14-10-23)28-17-19-29(20-18-28)27-15-11-25(12-16-27)21-24-7-5-22(2)6-8-24/h5-8,11-12,15-16,23,26,28-29H,3-4,9-10,13-14,17-21H2,1-2H3
InChIKeyPTTDVBBNHOEWCR-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603
1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 159548432
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene?
The IUPAC name of 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene (CID 58932728) is 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene?
The canonical SMILES for 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene is CCCC1CCC(C2CCC(c3ccc(Cc4ccc(C)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene?
The InChIKey is PTTDVBBNHOEWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40/c1-3-4-23-9-13-26(14-10-23)28-17-19-29(20-18-28)27-15-11-25(12-16-27)21-24-7-5-22(2)6-8-24/h5-8,11-12,15-16,23,26,28-29H,3-4,9-10,13-14,17-21H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene?
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene has a molecular weight of 388.64 g/mol, XLogP of 8.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene is sourced from PubChem (CID 58932728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).