2-bromo-6-(4-propylcyclohexyl)phenol

C15H21BrO — CID 162716944

IUPAC2-bromo-6-(4-propylcyclohexyl)phenol
SMILESCCCC1CCC(c2cccc(Br)c2O)CC1
InChIInChI=1S/C15H21BrO/c1-2-4-11-7-9-12(10-8-11)13-5-3-6-14(16)15(13)17/h3,5-6,11-12,17H,2,4,7-10H2,1H3
InChIKeyFHLCWQUUKKRVCP-UHFFFAOYSA-N
MW297.24 g/mol
LogP5.23
Rot. Bonds3

About 2-bromo-6-(4-propylcyclohexyl)phenol

2-bromo-6-(4-propylcyclohexyl)phenol (PubChem CID 162716944) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-bromo-6-(4-propylcyclohexyl)phenol.

Molecular Properties

Compound Name2-bromo-6-(4-propylcyclohexyl)phenol
PubChem CID162716944
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name2-bromo-6-(4-propylcyclohexyl)phenol
SMILESCCCC1CCC(c2cccc(Br)c2O)CC1
InChIInChI=1S/C15H21BrO/c1-2-4-11-7-9-12(10-8-11)13-5-3-6-14(16)15(13)17/h3,5-6,11-12,17H,2,4,7-10H2,1H3
InChIKeyFHLCWQUUKKRVCP-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.24
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(4-pentylcyclohexyl)benzene
CID 68659349
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
2-bromo-6-piperidin-4-ylphenol
CID 82623407
[2-fluoro-3-(4-propylcyclohexyl)phenoxy]boronic acid
CID 151058470
(4-propylcyclohexyl)benzene
CID 155887669
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one
CID 58942432
2-tert-butyl-6-cyclopropylphenol
CID 139975684
1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one
CID 58942520
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2-butan-2-yl-6-cyclopropylphenol
CID 3058303

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-propylcyclohexyl)phenol?
The IUPAC name of 2-bromo-6-(4-propylcyclohexyl)phenol (CID 162716944) is 2-bromo-6-(4-propylcyclohexyl)phenol.
What is the SMILES notation for 2-bromo-6-(4-propylcyclohexyl)phenol?
The canonical SMILES for 2-bromo-6-(4-propylcyclohexyl)phenol is CCCC1CCC(c2cccc(Br)c2O)CC1.
What is the InChIKey of 2-bromo-6-(4-propylcyclohexyl)phenol?
The InChIKey is FHLCWQUUKKRVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-2-4-11-7-9-12(10-8-11)13-5-3-6-14(16)15(13)17/h3,5-6,11-12,17H,2,4,7-10H2,1H3.
What are the key properties of 2-bromo-6-(4-propylcyclohexyl)phenol?
2-bromo-6-(4-propylcyclohexyl)phenol has a molecular weight of 297.24 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-propylcyclohexyl)phenol is sourced from PubChem (CID 162716944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).