1-(3-bromo-4-ethoxyphenyl)pentan-1-ol

C13H19BrO2 — CID 104661010

IUPAC1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1ccc(OCC)c(Br)c1
InChIInChI=1S/C13H19BrO2/c1-3-5-6-12(15)10-7-8-13(16-4-2)11(14)9-10/h7-9,12,15H,3-6H2,1-2H3
InChIKeyPAHZELQHXRJYSC-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.07
Rot. Bonds6

About 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol

1-(3-bromo-4-ethoxyphenyl)pentan-1-ol (PubChem CID 104661010) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
PubChem CID104661010
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
SMILESCCCCC(O)c1ccc(OCC)c(Br)c1
InChIInChI=1S/C13H19BrO2/c1-3-5-6-12(15)10-7-8-13(16-4-2)11(14)9-10/h7-9,12,15H,3-6H2,1-2H3
InChIKeyPAHZELQHXRJYSC-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(1-bromoheptyl)-1-ethoxybenzene
CID 114753725
1-(3-bromo-4-ethoxyphenyl)heptan-1-amine
CID 114752689
1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 104661035
1-(3-bromo-4-ethoxyphenyl)nonan-1-amine
CID 104657385
1-(3-bromo-4-ethoxyphenyl)decan-1-amine
CID 104657345
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 104661074
2-bromo-4-(1-chlorobutyl)-1-ethoxybenzene
CID 104661505
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol (CID 104661010) is 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol is CCCCC(O)c1ccc(OCC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol?
The InChIKey is PAHZELQHXRJYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-3-5-6-12(15)10-7-8-13(16-4-2)11(14)9-10/h7-9,12,15H,3-6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol?
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)pentan-1-ol is sourced from PubChem (CID 104661010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).