(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol

C15H16BrNO2 — CID 102949293

IUPAC(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
SMILESCc1cncc(COc2cc(Br)ccc2[C@H](C)O)c1
InChIInChI=1S/C15H16BrNO2/c1-10-5-12(8-17-7-10)9-19-15-6-13(16)3-4-14(15)11(2)18/h3-8,11,18H,9H2,1-2H3/t11-/m0/s1
InChIKeyVSUFUPXKRXGWPN-NSHDSACASA-N
MW322.20 g/mol
LogP3.78
Rot. Bonds4

About (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol

(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol (PubChem CID 102949293) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
PubChem CID102949293
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
SMILESCc1cncc(COc2cc(Br)ccc2[C@H](C)O)c1
InChIInChI=1S/C15H16BrNO2/c1-10-5-12(8-17-7-10)9-19-15-6-13(16)3-4-14(15)11(2)18/h3-8,11,18H,9H2,1-2H3/t11-/m0/s1
InChIKeyVSUFUPXKRXGWPN-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

(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 102880334
1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine
CID 102880408
1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol (CID 102949293) is (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol is Cc1cncc(COc2cc(Br)ccc2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol?
The InChIKey is VSUFUPXKRXGWPN-NSHDSACASA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-5-12(8-17-7-10)9-19-15-6-13(16)3-4-14(15)11(2)18/h3-8,11,18H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol?
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]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-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102949293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).