(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol

C15H14BrClO2 — CID 103960517

IUPAC(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C15H14BrClO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(17)9-12(15)16/h3-9,13,18H,2H2,1H3/t13-/m0/s1
InChIKeyBQTWNXXAOHPANS-ZDUSSCGKSA-N
MW341.63 g/mol
LogP5.34
Rot. Bonds4

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

(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol (PubChem CID 103960517) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
PubChem CID103960517
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C15H14BrClO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(17)9-12(15)16/h3-9,13,18H,2H2,1H3/t13-/m0/s1
InChIKeyBQTWNXXAOHPANS-ZDUSSCGKSA-N
XLogP5.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
CID 103960518
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
(1R)-1-[2-(3-chloro-2-fluorophenoxy)phenyl]propan-1-ol
CID 104892698
(1R)-1-[3-bromo-4-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 63541744
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 103046950
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol (CID 103960517) is (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol?
The InChIKey is BQTWNXXAOHPANS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(17)9-12(15)16/h3-9,13,18H,2H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol?
(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol has a molecular weight of 341.63 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 103960517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).