[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol

C17H21NO3 — CID 10401799

IUPAC[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
SMILESCCOC(OCC)c1ccc(C(O)c2cccnc2)cc1
InChIInChI=1S/C17H21NO3/c1-3-20-17(21-4-2)14-9-7-13(8-10-14)16(19)15-6-5-11-18-12-15/h5-12,16-17,19H,3-4H2,1-2H3
InChIKeyCVSXTZVDDKJQGO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.23
Rot. Bonds7

About [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol

[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol (PubChem CID 10401799) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
PubChem CID10401799
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
SMILESCCOC(OCC)c1ccc(C(O)c2cccnc2)cc1
InChIInChI=1S/C17H21NO3/c1-3-20-17(21-4-2)14-9-7-13(8-10-14)16(19)15-6-5-11-18-12-15/h5-12,16-17,19H,3-4H2,1-2H3
InChIKeyCVSXTZVDDKJQGO-UHFFFAOYSA-N
XLogP3.23
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-propylphenyl)-pyridin-3-ylmethanol
CID 61087023
2-ethoxy-1-pyridin-3-ylbutan-1-ol
CID 116711052
3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
CID 12882176
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
4-(diethoxymethyl)pyridine
CID 15389192
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanol
CID 23302982
1-[4-[4-[hydroxy(pyridin-3-yl)methyl]phenoxy]phenyl]-2,2-dimethylbutan-1-one
CID 54102298
(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol
CID 70620359
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride
CID 70505959
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903

Frequently Asked Questions

What is the IUPAC name of [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol (CID 10401799) is [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol is CCOC(OCC)c1ccc(C(O)c2cccnc2)cc1.
What is the InChIKey of [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol?
The InChIKey is CVSXTZVDDKJQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-20-17(21-4-2)14-9-7-13(8-10-14)16(19)15-6-5-11-18-12-15/h5-12,16-17,19H,3-4H2,1-2H3.
What are the key properties of [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol?
[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol has a molecular weight of 287.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol is sourced from PubChem (CID 10401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).