[3-(cyclohexylmethyl)-6-phenylhexyl]benzene

C25H34 — CID 173252623

IUPAC[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
SMILESc1ccc(CCCC(CCc2ccccc2)CC2CCCCC2)cc1
InChIInChI=1S/C25H34/c1-4-11-22(12-5-1)17-10-18-25(21-24-15-8-3-9-16-24)20-19-23-13-6-2-7-14-23/h1-2,4-7,11-14,24-25H,3,8-10,15-21H2
InChIKeyQCMJYLZHSPZBSM-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.23
Rot. Bonds9

About [3-(cyclohexylmethyl)-6-phenylhexyl]benzene

[3-(cyclohexylmethyl)-6-phenylhexyl]benzene (PubChem CID 173252623) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)-6-phenylhexyl]benzene.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
PubChem CID173252623
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
SMILESc1ccc(CCCC(CCc2ccccc2)CC2CCCCC2)cc1
InChIInChI=1S/C25H34/c1-4-11-22(12-5-1)17-10-18-25(21-24-15-8-3-9-16-24)20-19-23-13-6-2-7-14-23/h1-2,4-7,11-14,24-25H,3,8-10,15-21H2
InChIKeyQCMJYLZHSPZBSM-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[6-cyclopentyl-3-(3-cyclopentylpropyl)hexyl]benzene
CID 564248
(1-cyclohexyl-4-phenylbutan-2-yl)hydrazine
CID 105205647
3,3-dicyclohexylpropylbenzene
CID 86671113
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338
(Z,3R)-12-cyclohexyl-3-(2-phenylethyl)dodec-9-enoic acid
CID 163017288
12-cyclohexyl-3-(2-phenylethyl)dodec-9-enoic acid
CID 163017286
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
2-phenylethylcyclooctane
CID 54073487
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
(1-cyclohexyl-3-phenylpropyl)hydrazine
CID 105201730

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethyl)-6-phenylhexyl]benzene?
The IUPAC name of [3-(cyclohexylmethyl)-6-phenylhexyl]benzene (CID 173252623) is [3-(cyclohexylmethyl)-6-phenylhexyl]benzene.
What is the SMILES notation for [3-(cyclohexylmethyl)-6-phenylhexyl]benzene?
The canonical SMILES for [3-(cyclohexylmethyl)-6-phenylhexyl]benzene is c1ccc(CCCC(CCc2ccccc2)CC2CCCCC2)cc1.
What is the InChIKey of [3-(cyclohexylmethyl)-6-phenylhexyl]benzene?
The InChIKey is QCMJYLZHSPZBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-4-11-22(12-5-1)17-10-18-25(21-24-15-8-3-9-16-24)20-19-23-13-6-2-7-14-23/h1-2,4-7,11-14,24-25H,3,8-10,15-21H2.
What are the key properties of [3-(cyclohexylmethyl)-6-phenylhexyl]benzene?
[3-(cyclohexylmethyl)-6-phenylhexyl]benzene has a molecular weight of 334.55 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)-6-phenylhexyl]benzene is sourced from PubChem (CID 173252623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).