(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol

C15H16BrNO3 — CID 104798690

IUPAC(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C15H16BrNO3/c1-10(18)12-3-4-14(15(6-12)19-2)20-9-11-5-13(16)8-17-7-11/h3-8,10,18H,9H2,1-2H3/t10-/m1/s1
InChIKeyZPTHOUVOYGATGS-SNVBAGLBSA-N
MW338.20 g/mol
LogP3.48
Rot. Bonds5

About (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol

(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol (PubChem CID 104798690) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol
PubChem CID104798690
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCc1cncc(Br)c1
InChIInChI=1S/C15H16BrNO3/c1-10(18)12-3-4-14(15(6-12)19-2)20-9-11-5-13(16)8-17-7-11/h3-8,10,18H,9H2,1-2H3/t10-/m1/s1
InChIKeyZPTHOUVOYGATGS-SNVBAGLBSA-N
XLogP3.48
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol with MolForge

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Related Compounds

1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
CID 104807611
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1R)-1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931656
1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881647
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol (CID 104798690) is (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol is COc1cc([C@@H](C)O)ccc1OCc1cncc(Br)c1.
What is the InChIKey of (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol?
The InChIKey is ZPTHOUVOYGATGS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10(18)12-3-4-14(15(6-12)19-2)20-9-11-5-13(16)8-17-7-11/h3-8,10,18H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol?
(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol has a molecular weight of 338.20 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol is sourced from PubChem (CID 104798690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).