(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol

C16H18BrNO2 — CID 103175174

IUPAC(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
SMILESCCc1nc(C)ccc1Oc1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C16H18BrNO2/c1-4-14-16(7-5-10(2)18-14)20-15-8-6-12(11(3)19)9-13(15)17/h5-9,11,19H,4H2,1-3H3/t11-/m1/s1
InChIKeyOYJFSMIZSZFYQL-LLVKDONJSA-N
MW336.23 g/mol
LogP4.56
Rot. Bonds4

About (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol

(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol (PubChem CID 103175174) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
PubChem CID103175174
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
SMILESCCc1nc(C)ccc1Oc1ccc([C@@H](C)O)cc1Br
InChIInChI=1S/C16H18BrNO2/c1-4-14-16(7-5-10(2)18-14)20-15-8-6-12(11(3)19)9-13(15)17/h5-9,11,19H,4H2,1-3H3/t11-/m1/s1
InChIKeyOYJFSMIZSZFYQL-LLVKDONJSA-N
XLogP4.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175145
3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 114062657
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 55183060
(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
CID 103175163
(1S)-1-[3-bromo-4-(2,3,5-trimethylphenoxy)phenyl]ethanol
CID 78944847
(1R)-1-[3-bromo-4-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 63541744
(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 103174897
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
(1R)-1-[3-bromo-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanol
CID 107712787
(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
CID 55221480

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol (CID 103175174) is (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol is CCc1nc(C)ccc1Oc1ccc([C@@H](C)O)cc1Br.
What is the InChIKey of (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is OYJFSMIZSZFYQL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-4-14-16(7-5-10(2)18-14)20-15-8-6-12(11(3)19)9-13(15)17/h5-9,11,19H,4H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol?
(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 336.23 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 103175174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).