2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene

C21H25BrO — CID 173349803

IUPAC2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene
SMILESCOc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1Br
InChIInChI=1S/C21H25BrO/c1-23-21-14-13-19(15-20(21)22)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h9-16H,2-8H2,1H3
InChIKeyDRIXDQHUDQODLG-UHFFFAOYSA-N
MW373.33 g/mol
LogP6.64
Rot. Bonds5

About 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene

2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene (PubChem CID 173349803) has the molecular formula C21H25BrO and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene
PubChem CID173349803
Molecular FormulaC21H25BrO
Molecular Weight373.33 g/mol
Exact Mass372.11
IUPAC Name2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene
SMILESCOc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1Br
InChIInChI=1S/C21H25BrO/c1-23-21-14-13-19(15-20(21)22)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h9-16H,2-8H2,1H3
InChIKeyDRIXDQHUDQODLG-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2-cyclohexylethyl)phenyl]-2-methoxybenzonitrile
CID 173349929
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene
CID 173349932
1-bromo-3-[(3-bromo-4-methoxyphenyl)methyl]cycloheptane
CID 64507177
1-[(3-bromo-4-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64507965
5-[4-(2-cyclohexylethyl)phenyl]-2-octoxybenzonitrile
CID 173349880
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338
(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
CID 4743348
2-(3-bromo-4-methoxyphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65423096
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene (CID 173349803) is 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene is COc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene?
The InChIKey is DRIXDQHUDQODLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrO/c1-23-21-14-13-19(15-20(21)22)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h9-16H,2-8H2,1H3.
What are the key properties of 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene?
2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene has a molecular weight of 373.33 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene is sourced from PubChem (CID 173349803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).