1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol

C13H19BrO2 — CID 107892388

IUPAC1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol
SMILESCCCC(C)Oc1cc(Br)ccc1C(C)O
InChIInChI=1S/C13H19BrO2/c1-4-5-9(2)16-13-8-11(14)6-7-12(13)10(3)15/h6-10,15H,4-5H2,1-3H3
InChIKeySZLWIXWKOLHMJB-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.07
Rot. Bonds5

About 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol

1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol (PubChem CID 107892388) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol
PubChem CID107892388
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol
SMILESCCCC(C)Oc1cc(Br)ccc1C(C)O
InChIInChI=1S/C13H19BrO2/c1-4-5-9(2)16-13-8-11(14)6-7-12(13)10(3)15/h6-10,15H,4-5H2,1-3H3
InChIKeySZLWIXWKOLHMJB-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(1S)-1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol
CID 107892395
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]butanenitrile
CID 102948824
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentylpropanamide
CID 102948921
(1S)-1-(5-chloro-2-pentan-2-yloxyphenyl)ethanol
CID 107892259
1-[4-bromo-2-(1-phenylethoxy)phenyl]ethanol
CID 102948374
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
ethyl 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83040549
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
2-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]pentanoic acid
CID 102947307
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 102948397

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol (CID 107892388) is 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol is CCCC(C)Oc1cc(Br)ccc1C(C)O.
What is the InChIKey of 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol?
The InChIKey is SZLWIXWKOLHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-4-5-9(2)16-13-8-11(14)6-7-12(13)10(3)15/h6-10,15H,4-5H2,1-3H3.
What are the key properties of 1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol?
1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol has a molecular weight of 287.20 g/mol, XLogP of 4.07, 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-pentan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 107892388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).