1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol

C15H14BrClO2 — CID 63539732

IUPAC1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
SMILESCc1cc(Oc2ccc(C(C)O)cc2Br)ccc1Cl
InChIInChI=1S/C15H14BrClO2/c1-9-7-12(4-5-14(9)17)19-15-6-3-11(10(2)18)8-13(15)16/h3-8,10,18H,1-2H3
InChIKeyOCSGNNLWUOLALL-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.26
Rot. Bonds3

About 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol

1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol (PubChem CID 63539732) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
PubChem CID63539732
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
SMILESCc1cc(Oc2ccc(C(C)O)cc2Br)ccc1Cl
InChIInChI=1S/C15H14BrClO2/c1-9-7-12(4-5-14(9)17)19-15-6-3-11(10(2)18)8-13(15)16/h3-8,10,18H,1-2H3
InChIKeyOCSGNNLWUOLALL-UHFFFAOYSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.63
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
CID 55221480
(1S)-1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]ethanol
CID 78938640
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 82970379
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040
(1S)-1-[3-bromo-4-(4-tert-butylphenoxy)phenyl]ethanol
CID 78944751
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 55183060
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
(1S)-1-[3-bromo-4-(2,3,5-trimethylphenoxy)phenyl]ethanol
CID 78944847
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
CID 78941748
(1S)-1-[3-bromo-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938718

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol (CID 63539732) is 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol is Cc1cc(Oc2ccc(C(C)O)cc2Br)ccc1Cl.
What is the InChIKey of 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol?
The InChIKey is OCSGNNLWUOLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-9-7-12(4-5-14(9)17)19-15-6-3-11(10(2)18)8-13(15)16/h3-8,10,18H,1-2H3.
What are the key properties of 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol?
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol has a molecular weight of 341.63 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 63539732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).