2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene

C20H23BrO — CID 173349768

IUPAC2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene
SMILESCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1Br
InChIInChI=1S/C20H23BrO/c1-2-22-20-13-12-18(14-19(20)21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,2-7H2,1H3
InChIKeyVFINNSXEQPDPHW-UHFFFAOYSA-N
MW359.31 g/mol
LogP6.56
Rot. Bonds4

About 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene

2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene (PubChem CID 173349768) has the molecular formula C20H23BrO and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene
PubChem CID173349768
Molecular FormulaC20H23BrO
Molecular Weight359.31 g/mol
Exact Mass358.09
IUPAC Name2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene
SMILESCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1Br
InChIInChI=1S/C20H23BrO/c1-2-22-20-13-12-18(14-19(20)21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,2-7H2,1H3
InChIKeyVFINNSXEQPDPHW-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
CID 18960186
4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
CID 173349754
4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
CID 173349723
[bromo-(3-bromo-4-ethoxyphenyl)methyl]cyclooctane
CID 104661662
5-(4-cyclohexylphenyl)-2-pentoxybenzonitrile
CID 173349800
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
[4-[4-(3-bromo-4-pentoxyphenyl)phenyl]cyclohexyl] (2S)-2-fluorohexanoate
CID 56624090
2-bromo-4-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-1-ethoxybenzene
CID 139762044
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-(4-cyclohexylphenyl)-2-methylaniline
CID 63424369
1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
CID 138459505
1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene
CID 159997801

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene (CID 173349768) is 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene is CCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene?
The InChIKey is VFINNSXEQPDPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrO/c1-2-22-20-13-12-18(14-19(20)21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,2-7H2,1H3.
What are the key properties of 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene?
2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene has a molecular weight of 359.31 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-cyclohexylphenyl)-1-ethoxybenzene is sourced from PubChem (CID 173349768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).