(2S)-1-(2-bromophenoxy)propan-2-ol

C9H11BrO2 — CID 106933011

IUPAC(2S)-1-(2-bromophenoxy)propan-2-ol
SMILESC[C@H](O)COc1ccccc1Br
InChIInChI=1S/C9H11BrO2/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7,11H,6H2,1H3/t7-/m0/s1
InChIKeyJIAMSIWHCKSMHA-ZETCQYMHSA-N
MW231.09 g/mol
LogP2.21
Rot. Bonds3

About (2S)-1-(2-bromophenoxy)propan-2-ol

(2S)-1-(2-bromophenoxy)propan-2-ol (PubChem CID 106933011) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is (2S)-1-(2-bromophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-bromophenoxy)propan-2-ol
PubChem CID106933011
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name(2S)-1-(2-bromophenoxy)propan-2-ol
SMILESC[C@H](O)COc1ccccc1Br
InChIInChI=1S/C9H11BrO2/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7,11H,6H2,1H3/t7-/m0/s1
InChIKeyJIAMSIWHCKSMHA-ZETCQYMHSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-(2-chloropropoxy)benzene
CID 22752746
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-bromo-2-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611005
1-(2-bromophenoxy)-4-methoxybutan-2-ol
CID 117236731
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
N-[1-(2-bromophenoxy)propan-2-yl]acetamide
CID 69419717
2-[(2-bromophenoxy)methyl]-4-methylpentanoic acid
CID 117242120
2-[(2-bromophenoxy)methyl]-3,3-dimethylbutan-1-ol
CID 117242366
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
2-(2-bromophenoxy)-1-pyridin-2-ylethanol
CID 117241374
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromophenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(2-bromophenoxy)propan-2-ol (CID 106933011) is (2S)-1-(2-bromophenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-bromophenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(2-bromophenoxy)propan-2-ol is C[C@H](O)COc1ccccc1Br.
What is the InChIKey of (2S)-1-(2-bromophenoxy)propan-2-ol?
The InChIKey is JIAMSIWHCKSMHA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7,11H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2-bromophenoxy)propan-2-ol?
(2S)-1-(2-bromophenoxy)propan-2-ol has a molecular weight of 231.09 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-bromophenoxy)propan-2-ol is sourced from PubChem (CID 106933011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).