1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene

C23H29Br — CID 15135338

IUPAC1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C23H29Br/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h10-19H,2-9H2,1H3
InChIKeyMOFBVGCMFADUPM-UHFFFAOYSA-N
MW385.39 g/mol
LogP7.97
Rot. Bonds6

About 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene

1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 15135338) has the molecular formula C23H29Br and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID15135338
Molecular FormulaC23H29Br
Molecular Weight385.39 g/mol
Exact Mass384.15
IUPAC Name1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C23H29Br/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h10-19H,2-9H2,1H3
InChIKeyMOFBVGCMFADUPM-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene (CID 15135338) is 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is MOFBVGCMFADUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Br/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h10-19H,2-9H2,1H3.
What are the key properties of 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 385.39 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 15135338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).