1-(4-bromo-2-methoxyphenyl)pentan-1-ol

C12H17BrO2 — CID 115783251

IUPAC1-(4-bromo-2-methoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1ccc(Br)cc1OC
InChIInChI=1S/C12H17BrO2/c1-3-4-5-11(14)10-7-6-9(13)8-12(10)15-2/h6-8,11,14H,3-5H2,1-2H3
InChIKeyLCANGWGCPNODES-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-bromo-2-methoxyphenyl)pentan-1-ol

1-(4-bromo-2-methoxyphenyl)pentan-1-ol (PubChem CID 115783251) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)pentan-1-ol
PubChem CID115783251
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-(4-bromo-2-methoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1ccc(Br)cc1OC
InChIInChI=1S/C12H17BrO2/c1-3-4-5-11(14)10-7-6-9(13)8-12(10)15-2/h6-8,11,14H,3-5H2,1-2H3
InChIKeyLCANGWGCPNODES-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
CID 115791105
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol
CID 19010736
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid
CID 132525503
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
4-amino-1-(4-bromo-2-methoxyphenyl)butane-1,2-diol
CID 171882378
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)pentan-1-ol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)pentan-1-ol (CID 115783251) is 1-(4-bromo-2-methoxyphenyl)pentan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)pentan-1-ol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)pentan-1-ol is CCCCC(O)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)pentan-1-ol?
The InChIKey is LCANGWGCPNODES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-3-4-5-11(14)10-7-6-9(13)8-12(10)15-2/h6-8,11,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)pentan-1-ol?
1-(4-bromo-2-methoxyphenyl)pentan-1-ol has a molecular weight of 273.17 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)pentan-1-ol is sourced from PubChem (CID 115783251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).