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

C15H14BrClO2 — CID 112679109

IUPAC1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrClO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9,13,18H,2H2,1H3
InChIKeyDWHMRHKALOVSEY-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.34
Rot. Bonds4

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

1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol (PubChem CID 112679109) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
PubChem CID112679109
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrClO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9,13,18H,2H2,1H3
InChIKeyDWHMRHKALOVSEY-UHFFFAOYSA-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

(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
CID 103960518
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
1-[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 82959280
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
CID 103960528
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
CID 112679142
(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
CID 103960549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol (CID 112679109) is 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol is CCC(O)c1ccccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol?
The InChIKey is DWHMRHKALOVSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9,13,18H,2H2,1H3.
What are the key properties of 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol?
1-[2-(4-bromo-2-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 1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 112679109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).