2-(4-bromo-2-chlorophenoxy)-1-phenylethanol

C14H12BrClO2 — CID 60725947

IUPAC2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
SMILESOC(COc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C14H12BrClO2/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2
InChIKeyKYBRSBZILFZSCF-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.21
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol

2-(4-bromo-2-chlorophenoxy)-1-phenylethanol (PubChem CID 60725947) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
PubChem CID60725947
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
SMILESOC(COc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C14H12BrClO2/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2
InChIKeyKYBRSBZILFZSCF-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-1-phenylethanol
CID 63367802
3-bromo-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 63050259
1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 62269183
1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
2-(5-bromo-2-nitrophenoxy)-1-phenylethanol
CID 67246445
2-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]-1-phenylethanol
CID 102947238
1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
CID 64718642
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461596
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
5-chloro-2-(2-hydroxy-2-phenylethoxy)benzaldehyde
CID 60884802
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol (CID 60725947) is 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol is OC(COc1ccc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol?
The InChIKey is KYBRSBZILFZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c15-11-6-7-14(12(16)8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,17H,9H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol?
2-(4-bromo-2-chlorophenoxy)-1-phenylethanol has a molecular weight of 327.61 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-1-phenylethanol is sourced from PubChem (CID 60725947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).