(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol

C15H16BrNO2 — CID 104798701

IUPAC(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2cncc(Br)c2)c([C@H](C)O)c1
InChIInChI=1S/C15H16BrNO2/c1-10-3-4-15(14(5-10)11(2)18)19-9-12-6-13(16)8-17-7-12/h3-8,11,18H,9H2,1-2H3/t11-/m0/s1
InChIKeyADPKOVRBJSADJA-NSHDSACASA-N
MW322.20 g/mol
LogP3.78
Rot. Bonds4

About (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol

(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol (PubChem CID 104798701) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
PubChem CID104798701
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2cncc(Br)c2)c([C@H](C)O)c1
InChIInChI=1S/C15H16BrNO2/c1-10-3-4-15(14(5-10)11(2)18)19-9-12-6-13(16)8-17-7-12/h3-8,11,18H,9H2,1-2H3/t11-/m0/s1
InChIKeyADPKOVRBJSADJA-NSHDSACASA-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 ≤ 500322.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
(1R)-1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanol
CID 104798690
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
2-[(5-bromo-3-pyridinyl)methoxy]-4-methylbenzoic acid
CID 104795963
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101
(1S)-1-[2-[(3,5-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 105404171
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
(E)-3-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]prop-2-enoic acid
CID 104799304
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 104796252

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol (CID 104798701) is (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol is Cc1ccc(OCc2cncc(Br)c2)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol?
The InChIKey is ADPKOVRBJSADJA-NSHDSACASA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-3-4-15(14(5-10)11(2)18)19-9-12-6-13(16)8-17-7-12/h3-8,11,18H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol?
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol has a molecular weight of 322.20 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 (1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 104798701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).