1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol

C14H15NO3 — CID 114053795

IUPAC1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol
SMILESCOc1cccnc1C(O)C(O)c1ccccc1
InChIInChI=1S/C14H15NO3/c1-18-11-8-5-9-15-12(11)14(17)13(16)10-6-3-2-4-7-10/h2-9,13-14,16-17H,1H3
InChIKeyNYCMPLAZBLISFD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol

1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol (PubChem CID 114053795) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol
PubChem CID114053795
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol
SMILESCOc1cccnc1C(O)C(O)c1ccccc1
InChIInChI=1S/C14H15NO3/c1-18-11-8-5-9-15-12(11)14(17)13(16)10-6-3-2-4-7-10/h2-9,13-14,16-17H,1H3
InChIKeyNYCMPLAZBLISFD-UHFFFAOYSA-N
XLogP1.86
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
CID 114053820
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
(3-methoxy-2-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 114054869
2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
CID 114053788
2-(4-fluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053745
1,2-diphenylethane-1,2-diol
CID 159073808
2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 86811528
(3-methoxy-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol
CID 114053757

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol (CID 114053795) is 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol is COc1cccnc1C(O)C(O)c1ccccc1.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol?
The InChIKey is NYCMPLAZBLISFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-11-8-5-9-15-12(11)14(17)13(16)10-6-3-2-4-7-10/h2-9,13-14,16-17H,1H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol?
1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol has a molecular weight of 245.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol is sourced from PubChem (CID 114053795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).