1-bromo-4-(3-propylcyclohexyl)benzene

C15H21Br — CID 141294592

IUPAC1-bromo-4-(3-propylcyclohexyl)benzene
SMILESCCCC1CCCC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21Br/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h7-10,12,14H,2-6,11H2,1H3
InChIKeyRBTFZWBXZADGPM-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.52
Rot. Bonds3

About 1-bromo-4-(3-propylcyclohexyl)benzene

1-bromo-4-(3-propylcyclohexyl)benzene (PubChem CID 141294592) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-bromo-4-(3-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-propylcyclohexyl)benzene
PubChem CID141294592
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-bromo-4-(3-propylcyclohexyl)benzene
SMILESCCCC1CCCC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21Br/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h7-10,12,14H,2-6,11H2,1H3
InChIKeyRBTFZWBXZADGPM-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286
[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol
CID 138467946
4-(4-bromophenyl)cycloheptan-1-amine
CID 115049929
N,N-dimethyl-2-[(1R,3S)-3-phenylcyclohexyl]ethanamine
CID 162654109
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene
CID 58122658
[3-(bromomethyl)cyclohexyl]benzene
CID 174846127
(2R,4aR,6R,8aR)-2-(4-fluorophenyl)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809899
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-bromo-4-(3-propylcyclopentyl)oxybenzene
CID 141355711

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-propylcyclohexyl)benzene?
The IUPAC name of 1-bromo-4-(3-propylcyclohexyl)benzene (CID 141294592) is 1-bromo-4-(3-propylcyclohexyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-propylcyclohexyl)benzene?
The canonical SMILES for 1-bromo-4-(3-propylcyclohexyl)benzene is CCCC1CCCC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-bromo-4-(3-propylcyclohexyl)benzene?
The InChIKey is RBTFZWBXZADGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h7-10,12,14H,2-6,11H2,1H3.
What are the key properties of 1-bromo-4-(3-propylcyclohexyl)benzene?
1-bromo-4-(3-propylcyclohexyl)benzene has a molecular weight of 281.24 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-propylcyclohexyl)benzene is sourced from PubChem (CID 141294592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).