(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C17H24O4 — CID 79901527

IUPAC(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCOc1cccc(C(O)C2CCOC3(CCC3)C2)c1OC
InChIInChI=1S/C17H24O4/c1-19-14-6-3-5-13(16(14)20-2)15(18)12-7-10-21-17(11-12)8-4-9-17/h3,5-6,12,15,18H,4,7-11H2,1-2H3
InChIKeyVZGWSQHFRATJIA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.09
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 79901527) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID79901527
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCOc1cccc(C(O)C2CCOC3(CCC3)C2)c1OC
InChIInChI=1S/C17H24O4/c1-19-14-6-3-5-13(16(14)20-2)15(18)12-7-10-21-17(11-12)8-4-9-17/h3,5-6,12,15,18H,4,7-11H2,1-2H3
InChIKeyVZGWSQHFRATJIA-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79902050
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(6-methoxy-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 103348185
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819602
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 82686001

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 79901527) is (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is COc1cccc(C(O)C2CCOC3(CCC3)C2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is VZGWSQHFRATJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-19-14-6-3-5-13(16(14)20-2)15(18)12-7-10-21-17(11-12)8-4-9-17/h3,5-6,12,15,18H,4,7-11H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 292.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 79901527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).