1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol

C15H13BrCl2O2 — CID 105126618

IUPAC1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl2O2/c16-11-2-1-10(15(18)8-11)7-13(19)9-20-14-5-3-12(17)4-6-14/h1-6,8,13,19H,7,9H2
InChIKeyNNRGESMRJRQVKA-UHFFFAOYSA-N
MW376.08 g/mol
LogP4.74
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol

1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol (PubChem CID 105126618) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
PubChem CID105126618
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl2O2/c16-11-2-1-10(15(18)8-11)7-13(19)9-20-14-5-3-12(17)4-6-14/h1-6,8,13,19H,7,9H2
InChIKeyNNRGESMRJRQVKA-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.08
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126126
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 105131753
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol (CID 105126618) is 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol is OC(COc1ccc(Cl)cc1)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol?
The InChIKey is NNRGESMRJRQVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c16-11-2-1-10(15(18)8-11)7-13(19)9-20-14-5-3-12(17)4-6-14/h1-6,8,13,19H,7,9H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol?
1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol has a molecular weight of 376.08 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 105126618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).