1-(3-bromocyclohexyl)-4-propylbenzene

C15H21Br — CID 64506484

IUPAC1-(3-bromocyclohexyl)-4-propylbenzene
SMILESCCCc1ccc(C2CCCC(Br)C2)cc1
InChIInChI=1S/C15H21Br/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h7-10,14-15H,2-6,11H2,1H3
InChIKeyOIEMIQKQUOYLCV-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.06
Rot. Bonds3

About 1-(3-bromocyclohexyl)-4-propylbenzene

1-(3-bromocyclohexyl)-4-propylbenzene (PubChem CID 64506484) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(3-bromocyclohexyl)-4-propylbenzene.

Molecular Properties

Compound Name1-(3-bromocyclohexyl)-4-propylbenzene
PubChem CID64506484
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-(3-bromocyclohexyl)-4-propylbenzene
SMILESCCCc1ccc(C2CCCC(Br)C2)cc1
InChIInChI=1S/C15H21Br/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h7-10,14-15H,2-6,11H2,1H3
InChIKeyOIEMIQKQUOYLCV-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
1-bromo-3-(4-propoxyphenyl)cycloheptane
CID 64507843
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
3-(4-propylphenyl)oxane
CID 21248099
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-bromo-3-(4-propan-2-ylphenyl)cycloheptane
CID 64506515
3-(4-propylphenyl)cyclohexan-1-one
CID 64521897
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
CID 154308321
1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene
CID 123525721
3-(4-propylphenyl)oxetane
CID 130361103
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
CID 166999626

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromocyclohexyl)-4-propylbenzene?
The IUPAC name of 1-(3-bromocyclohexyl)-4-propylbenzene (CID 64506484) is 1-(3-bromocyclohexyl)-4-propylbenzene.
What is the SMILES notation for 1-(3-bromocyclohexyl)-4-propylbenzene?
The canonical SMILES for 1-(3-bromocyclohexyl)-4-propylbenzene is CCCc1ccc(C2CCCC(Br)C2)cc1.
What is the InChIKey of 1-(3-bromocyclohexyl)-4-propylbenzene?
The InChIKey is OIEMIQKQUOYLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h7-10,14-15H,2-6,11H2,1H3.
What are the key properties of 1-(3-bromocyclohexyl)-4-propylbenzene?
1-(3-bromocyclohexyl)-4-propylbenzene has a molecular weight of 281.24 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromocyclohexyl)-4-propylbenzene is sourced from PubChem (CID 64506484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).