(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol

C13H17BrO2 — CID 102949240

IUPAC(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Br)cc1OCCC1CC1
InChIInChI=1S/C13H17BrO2/c1-9(15)12-5-4-11(14)8-13(12)16-7-6-10-2-3-10/h4-5,8-10,15H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyJALFDIUSMLWMAZ-VIFPVBQESA-N
MW285.18 g/mol
LogP3.68
Rot. Bonds5

About (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol

(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol (PubChem CID 102949240) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
PubChem CID102949240
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Br)cc1OCCC1CC1
InChIInChI=1S/C13H17BrO2/c1-9(15)12-5-4-11(14)8-13(12)16-7-6-10-2-3-10/h4-5,8-10,15H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyJALFDIUSMLWMAZ-VIFPVBQESA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
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CID 106929847
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1R)-1-[4-bromo-2-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
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(1S)-1-[4-bromo-2-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 102948973
1-[4-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 102948521
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
CID 102948566

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol (CID 102949240) is (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol is C[C@H](O)c1ccc(Br)cc1OCCC1CC1.
What is the InChIKey of (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol?
The InChIKey is JALFDIUSMLWMAZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17BrO2/c1-9(15)12-5-4-11(14)8-13(12)16-7-6-10-2-3-10/h4-5,8-10,15H,2-3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol?
(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol has a molecular weight of 285.18 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 (1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol is sourced from PubChem (CID 102949240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).