(5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol

C17H19NO3 — CID 22768109

IUPAC(5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol
SMILESCC1(C(O)(c2ccccc2)c2cccnc2)COCOC1
InChIInChI=1S/C17H19NO3/c1-16(11-20-13-21-12-16)17(19,14-6-3-2-4-7-14)15-8-5-9-18-10-15/h2-10,19H,11-13H2,1H3
InChIKeySNVUFJNOQDGWOY-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.33
Rot. Bonds3

About (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol

(5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol (PubChem CID 22768109) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol
PubChem CID22768109
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol
SMILESCC1(C(O)(c2ccccc2)c2cccnc2)COCOC1
InChIInChI=1S/C17H19NO3/c1-16(11-20-13-21-12-16)17(19,14-6-3-2-4-7-14)15-8-5-9-18-10-15/h2-10,19H,11-13H2,1H3
InChIKeySNVUFJNOQDGWOY-UHFFFAOYSA-N
XLogP2.33
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tripyridin-3-ylmethanol
CID 177395677
1-(2-morpholin-4-ylphenyl)-1-pyridin-3-ylethanol
CID 175567529
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(1R)-1-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylethanol
CID 171485644
(1R,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-ylpropan-2-ol
CID 125488696
4-(hydroxy-phenyl-pyridin-3-ylmethyl)phenol
CID 91752041
3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid
CID 68961783
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
dicyclohexyl(pyridin-3-yl)methanol
CID 70631118
(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol
CID 124638281

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol?
The IUPAC name of (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol (CID 22768109) is (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol.
What is the SMILES notation for (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol?
The canonical SMILES for (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol is CC1(C(O)(c2ccccc2)c2cccnc2)COCOC1.
What is the InChIKey of (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol?
The InChIKey is SNVUFJNOQDGWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-16(11-20-13-21-12-16)17(19,14-6-3-2-4-7-14)15-8-5-9-18-10-15/h2-10,19H,11-13H2,1H3.
What are the key properties of (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol?
(5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol has a molecular weight of 285.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-dioxan-5-yl)-phenyl-pyridin-3-ylmethanol is sourced from PubChem (CID 22768109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).