(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol

C12H17NO3 — CID 115828844

IUPAC(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol
SMILESCOc1cncc(C(O)C2CCOC2C)c1
InChIInChI=1S/C12H17NO3/c1-8-11(3-4-16-8)12(14)9-5-10(15-2)7-13-6-9/h5-8,11-12,14H,3-4H2,1-2H3
InChIKeyYBYDICDIYWHELV-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.55
Rot. Bonds3

About (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol

(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol (PubChem CID 115828844) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol
PubChem CID115828844
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol
SMILESCOc1cncc(C(O)C2CCOC2C)c1
InChIInChI=1S/C12H17NO3/c1-8-11(3-4-16-8)12(14)9-5-10(15-2)7-13-6-9/h5-8,11-12,14H,3-4H2,1-2H3
InChIKeyYBYDICDIYWHELV-UHFFFAOYSA-N
XLogP1.55
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105329724
(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
CID 115828914
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 79763064
(5-methoxy-3-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680797
(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol
CID 79755914
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763153
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763340

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol?
The IUPAC name of (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol (CID 115828844) is (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol is COc1cncc(C(O)C2CCOC2C)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol?
The InChIKey is YBYDICDIYWHELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-11(3-4-16-8)12(14)9-5-10(15-2)7-13-6-9/h5-8,11-12,14H,3-4H2,1-2H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol?
(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol has a molecular weight of 223.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 115828844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).