1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol

C14H13BrClNO2 — CID 112655718

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1ccncc1Cl
InChIInChI=1S/C14H13BrClNO2/c1-19-14-7-10(15)2-3-11(14)13(18)6-9-4-5-17-8-12(9)16/h2-5,7-8,13,18H,6H2,1H3
InChIKeyYBEBUGDCLKGFRW-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.78
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol

1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol (PubChem CID 112655718) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
PubChem CID112655718
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1ccncc1Cl
InChIInChI=1S/C14H13BrClNO2/c1-19-14-7-10(15)2-3-11(14)13(18)6-9-4-5-17-8-12(9)16/h2-5,7-8,13,18H,6H2,1H3
InChIKeyYBEBUGDCLKGFRW-UHFFFAOYSA-N
XLogP3.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)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

1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457
1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066235

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol (CID 112655718) is 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol is COc1cc(Br)ccc1C(O)Cc1ccncc1Cl.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The InChIKey is YBEBUGDCLKGFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-19-14-7-10(15)2-3-11(14)13(18)6-9-4-5-17-8-12(9)16/h2-5,7-8,13,18H,6H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol has a molecular weight of 342.62 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol is sourced from PubChem (CID 112655718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).