(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol

C14H14BrNO2 — CID 55183060

IUPAC(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@H](C)O)cc2Br)cn1
InChIInChI=1S/C14H14BrNO2/c1-9-3-5-12(8-16-9)18-14-6-4-11(10(2)17)7-13(14)15/h3-8,10,17H,1-2H3/t10-/m0/s1
InChIKeyPTDXBNZNCGWDOK-JTQLQIEISA-N
MW308.18 g/mol
LogP4.00
Rot. Bonds3

About (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol

(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol (PubChem CID 55183060) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
PubChem CID55183060
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@H](C)O)cc2Br)cn1
InChIInChI=1S/C14H14BrNO2/c1-9-3-5-12(8-16-9)18-14-6-4-11(10(2)17)7-13(14)15/h3-8,10,17H,1-2H3/t10-/m0/s1
InChIKeyPTDXBNZNCGWDOK-JTQLQIEISA-N
XLogP4.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]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

(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
CID 78941748
(1S)-1-[3-bromo-4-(4-tert-butylphenoxy)phenyl]ethanol
CID 78944751
(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol
CID 107314104
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175174
(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
CID 55221480
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893650
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
(1S)-1-[3-bromo-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938718
3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 104778902

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol (CID 55183060) is (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol is Cc1ccc(Oc2ccc([C@H](C)O)cc2Br)cn1.
What is the InChIKey of (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is PTDXBNZNCGWDOK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-3-5-12(8-16-9)18-14-6-4-11(10(2)17)7-13(14)15/h3-8,10,17H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 308.18 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 55183060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).