1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene

C29H34 — CID 139711027

IUPAC1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene
SMILESCCCC1CCCCC1C(C)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H34/c1-3-11-25-14-7-8-15-27(25)22(2)28-16-9-10-17-29(28)26-20-18-24(19-21-26)23-12-5-4-6-13-23/h4-6,9-10,12-13,16-22,25,27H,3,7-8,11,14-15H2,1-2H3
InChIKeyKFDKHCFMFXVPFM-UHFFFAOYSA-N
MW382.59 g/mol
LogP8.73
Rot. Bonds6

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

1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene (PubChem CID 139711027) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene
PubChem CID139711027
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene
SMILESCCCC1CCCCC1C(C)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H34/c1-3-11-25-14-7-8-15-27(25)22(2)28-16-9-10-17-29(28)26-20-18-24(19-21-26)23-12-5-4-6-13-23/h4-6,9-10,12-13,16-22,25,27H,3,7-8,11,14-15H2,1-2H3
InChIKeyKFDKHCFMFXVPFM-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711116
1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
CID 139711196
2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711157
1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene
CID 154060487
2-methoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711110
4-(4-phenylphenyl)-3-propylpiperidine
CID 79310826
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711183
1-[1-(2-ethylcyclohexyl)-3-fluoropropyl]-4-(4-phenylphenyl)benzene
CID 139711152
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
5-[1-(2-butylcyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
CID 139711149
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene?
The IUPAC name of 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene (CID 139711027) is 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene.
What is the SMILES notation for 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene?
The canonical SMILES for 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene is CCCC1CCCCC1C(C)c1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene?
The InChIKey is KFDKHCFMFXVPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34/c1-3-11-25-14-7-8-15-27(25)22(2)28-16-9-10-17-29(28)26-20-18-24(19-21-26)23-12-5-4-6-13-23/h4-6,9-10,12-13,16-22,25,27H,3,7-8,11,14-15H2,1-2H3.
What are the key properties of 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene?
1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene has a molecular weight of 382.59 g/mol, XLogP of 8.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene is sourced from PubChem (CID 139711027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).