(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol

C9H10BrClO2 — CID 106933022

IUPAC(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
SMILESC[C@H](O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClO2/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6,12H,5H2,1H3/t6-/m0/s1
InChIKeyZGOHBSGZRICZPV-LURJTMIESA-N
MW265.53 g/mol
LogP2.86
Rot. Bonds3

About (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol

(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol (PubChem CID 106933022) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
PubChem CID106933022
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
SMILESC[C@H](O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClO2/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6,12H,5H2,1H3/t6-/m0/s1
InChIKeyZGOHBSGZRICZPV-LURJTMIESA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
CID 60725947
(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
CID 7375680
1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 62269183
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl-propan-2-ylazanium
CID 2297262
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 68792294

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol (CID 106933022) is (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol is C[C@H](O)COc1ccc(Br)cc1Cl.
What is the InChIKey of (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol?
The InChIKey is ZGOHBSGZRICZPV-LURJTMIESA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6,12H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol?
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol has a molecular weight of 265.53 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 106933022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).