2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene

C17H18BrClS — CID 63440342

IUPAC2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene
SMILESClc1ccc(C(Br)c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C17H18BrClS/c18-17(15-10-11-16(19)20-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,17H,1-5H2
InChIKeyGFZOBJPWCFKLSH-UHFFFAOYSA-N
MW369.76 g/mol
LogP6.93
Rot. Bonds3

About 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene

2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene (PubChem CID 63440342) has the molecular formula C17H18BrClS and a molecular weight of 369.76 g/mol. Its IUPAC name is 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene.

Molecular Properties

Compound Name2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene
PubChem CID63440342
Molecular FormulaC17H18BrClS
Molecular Weight369.76 g/mol
Exact Mass368.00
IUPAC Name2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene
SMILESClc1ccc(C(Br)c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C17H18BrClS/c18-17(15-10-11-16(19)20-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,17H,1-5H2
InChIKeyGFZOBJPWCFKLSH-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.76
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(4-cyclohexylphenyl)methyl]-2-iodobenzene
CID 63440775
2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene
CID 63441429
2,5-dichloro-3-[chloro-(4-cyclohexylphenyl)methyl]thiophene
CID 107964502
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane
CID 61096141
2-[bromo-(3-methylphenyl)methyl]-5-chlorothiophene
CID 63441697
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
2-[bromo-(5-iodothiophen-3-yl)methyl]-5-chlorothiophene
CID 79683516
2-bromo-1-(4-cyclohexylphenyl)ethanol
CID 116863188
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
2-[bromo-(4-cyclohexylphenyl)methyl]oxane
CID 63440343

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene?
The IUPAC name of 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene (CID 63440342) is 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene.
What is the SMILES notation for 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene?
The canonical SMILES for 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene is Clc1ccc(C(Br)c2ccc(C3CCCCC3)cc2)s1.
What is the InChIKey of 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene?
The InChIKey is GFZOBJPWCFKLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClS/c18-17(15-10-11-16(19)20-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,17H,1-5H2.
What are the key properties of 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene?
2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene has a molecular weight of 369.76 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-cyclohexylphenyl)methyl]-5-chlorothiophene is sourced from PubChem (CID 63440342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).