(1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol

C15H16BrNO2 — CID 107724994

IUPAC(1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol
SMILESCc1cc(Oc2ccc([C@H](C)O)cn2)cc(C)c1Br
InChIInChI=1S/C15H16BrNO2/c1-9-6-13(7-10(2)15(9)16)19-14-5-4-12(8-17-14)11(3)18/h4-8,11,18H,1-3H3/t11-/m0/s1
InChIKeyGNSUPWRQTLOHHE-NSHDSACASA-N
MW322.20 g/mol
LogP4.31
Rot. Bonds3

About (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol

(1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol (PubChem CID 107724994) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol
PubChem CID107724994
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol
SMILESCc1cc(Oc2ccc([C@H](C)O)cn2)cc(C)c1Br
InChIInChI=1S/C15H16BrNO2/c1-9-6-13(7-10(2)15(9)16)19-14-5-4-12(8-17-14)11(3)18/h4-8,11,18H,1-3H3/t11-/m0/s1
InChIKeyGNSUPWRQTLOHHE-NSHDSACASA-N
XLogP4.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol
CID 107724992
1-[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanol
CID 107284929
(1S)-1-[6-(5-fluoro-2-methylphenoxy)-3-pyridinyl]ethanol
CID 102989853
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 107724988
1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
CID 107659083
4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine
CID 107723121
(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol
CID 103483375
[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol
CID 107725618
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 55183060
6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 107722526
(2S)-4-(4-bromo-3,5-dimethylphenoxy)butan-2-ol
CID 129387597
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol (CID 107724994) is (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol is Cc1cc(Oc2ccc([C@H](C)O)cn2)cc(C)c1Br.
What is the InChIKey of (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol?
The InChIKey is GNSUPWRQTLOHHE-NSHDSACASA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-9-6-13(7-10(2)15(9)16)19-14-5-4-12(8-17-14)11(3)18/h4-8,11,18H,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol?
(1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol has a molecular weight of 322.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(4-bromo-3,5-dimethylphenoxy)-3-pyridinyl]ethanol is sourced from PubChem (CID 107724994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).