3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol

C17H24O2 — CID 66367281

IUPAC3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
SMILESCc1cccc(OC2CC(O)C23CCCCC3)c1C
InChIInChI=1S/C17H24O2/c1-12-7-6-8-14(13(12)2)19-16-11-15(18)17(16)9-4-3-5-10-17/h6-8,15-16,18H,3-5,9-11H2,1-2H3
InChIKeyPWGJPRTVWPGZST-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.77
Rot. Bonds2

About 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol

3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol (PubChem CID 66367281) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
PubChem CID66367281
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
SMILESCc1cccc(OC2CC(O)C23CCCCC3)c1C
InChIInChI=1S/C17H24O2/c1-12-7-6-8-14(13(12)2)19-16-11-15(18)17(16)9-4-3-5-10-17/h6-8,15-16,18H,3-5,9-11H2,1-2H3
InChIKeyPWGJPRTVWPGZST-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 107662269
3-bromo-1-(2,3-dimethylphenoxy)spiro[3.6]decane
CID 66344194
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
3-(2-fluorophenoxy)spiro[3.6]decan-1-ol
CID 66366664
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
CID 66368938
3-(4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367094
3-(2-fluoro-5-methylphenoxy)spiro[3.6]decan-1-ol
CID 66344599
3-(2-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366465
3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367315
3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
CID 107662297
10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol
CID 91093858

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol?
The IUPAC name of 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol (CID 66367281) is 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol?
The canonical SMILES for 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol is Cc1cccc(OC2CC(O)C23CCCCC3)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol?
The InChIKey is PWGJPRTVWPGZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-7-6-8-14(13(12)2)19-16-11-15(18)17(16)9-4-3-5-10-17/h6-8,15-16,18H,3-5,9-11H2,1-2H3.
What are the key properties of 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol?
3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol is sourced from PubChem (CID 66367281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).