(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol

C14H11BrCl2O2 — CID 55221480

IUPAC(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H11BrCl2O2/c1-8(18)9-2-3-14(13(15)4-9)19-12-6-10(16)5-11(17)7-12/h2-8,18H,1H3/t8-/m0/s1
InChIKeyBPPSPFACLZSALO-QMMMGPOBSA-N
MW362.05 g/mol
LogP5.60
Rot. Bonds3

About (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol

(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol (PubChem CID 55221480) has the molecular formula C14H11BrCl2O2 and a molecular weight of 362.05 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
PubChem CID55221480
Molecular FormulaC14H11BrCl2O2
Molecular Weight362.05 g/mol
Exact Mass359.93
IUPAC Name(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H11BrCl2O2/c1-8(18)9-2-3-14(13(15)4-9)19-12-6-10(16)5-11(17)7-12/h2-8,18H,1H3/t8-/m0/s1
InChIKeyBPPSPFACLZSALO-QMMMGPOBSA-N
XLogP5.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.05
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
(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-pyridin-3-yloxyphenyl)ethanol
CID 78941748
(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-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893650
(1S)-1-[3-bromo-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938718
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol (CID 55221480) is (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol is C[C@H](O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1.
What is the InChIKey of (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol?
The InChIKey is BPPSPFACLZSALO-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11BrCl2O2/c1-8(18)9-2-3-14(13(15)4-9)19-12-6-10(16)5-11(17)7-12/h2-8,18H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol?
(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol has a molecular weight of 362.05 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol is sourced from PubChem (CID 55221480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).