(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C16H23NO3 — CID 114938024

IUPAC(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC3(CCCC3)C2)cn1
InChIInChI=1S/C16H23NO3/c1-19-14-5-4-13(11-17-14)15(18)12-6-9-20-16(10-12)7-2-3-8-16/h4-5,11-12,15,18H,2-3,6-10H2,1H3
InChIKeyCVSBQWCZTKQIRF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.86
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 114938024) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID114938024
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC3(CCCC3)C2)cn1
InChIInChI=1S/C16H23NO3/c1-19-14-5-4-13(11-17-14)15(18)12-6-9-20-16(10-12)7-2-3-8-16/h4-5,11-12,15,18H,2-3,6-10H2,1H3
InChIKeyCVSBQWCZTKQIRF-UHFFFAOYSA-N
XLogP2.86
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81319068
(6-methoxy-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 103348185
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79970798
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105116035
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 114938024) is (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is COc1ccc(C(O)C2CCOC3(CCCC3)C2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is CVSBQWCZTKQIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-5-4-13(11-17-14)15(18)12-6-9-20-16(10-12)7-2-3-8-16/h4-5,11-12,15,18H,2-3,6-10H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 277.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 114938024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).