(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol

C14H12BrClO2 — CID 78941541

IUPAC(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C14H12BrClO2/c1-9(17)10-2-7-14(13(16)8-10)18-12-5-3-11(15)4-6-12/h2-9,17H,1H3/t9-/m1/s1
InChIKeyYKKUJPPRVKZLPZ-SECBINFHSA-N
MW327.61 g/mol
LogP4.95
Rot. Bonds3

About (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol

(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol (PubChem CID 78941541) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
PubChem CID78941541
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C14H12BrClO2/c1-9(17)10-2-7-14(13(16)8-10)18-12-5-3-11(15)4-6-12/h2-9,17H,1H3/t9-/m1/s1
InChIKeyYKKUJPPRVKZLPZ-SECBINFHSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529
1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
CID 63217010
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100154
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
(1R)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100127

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol (CID 78941541) is (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol is C[C@@H](O)c1ccc(Oc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol?
The InChIKey is YKKUJPPRVKZLPZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-9(17)10-2-7-14(13(16)8-10)18-12-5-3-11(15)4-6-12/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol?
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol has a molecular weight of 327.61 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol is sourced from PubChem (CID 78941541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).