3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol

C16H22O2 — CID 66366462

IUPAC3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol
SMILESCc1cc(C)cc(OC2CC(O)C23CCCC3)c1
InChIInChI=1S/C16H22O2/c1-11-7-12(2)9-13(8-11)18-15-10-14(17)16(15)5-3-4-6-16/h7-9,14-15,17H,3-6,10H2,1-2H3
InChIKeyPFQQDVWFSNWXSS-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.38
Rot. Bonds2

About 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol

3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol (PubChem CID 66366462) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol
PubChem CID66366462
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol
SMILESCc1cc(C)cc(OC2CC(O)C23CCCC3)c1
InChIInChI=1S/C16H22O2/c1-11-7-12(2)9-13(8-11)18-15-10-14(17)16(15)5-3-4-6-16/h7-9,14-15,17H,3-6,10H2,1-2H3
InChIKeyPFQQDVWFSNWXSS-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525
3-(4-Nonylphenoxy)-1,2-propanediol
CID 101160
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-
CID 138501
Octoxynol 5
CID 131752352
3-(3-Butylphenoxy)propane-1,2-diol
CID 113930
3-(3-Ethylphenoxy)propane-1,2-diol
CID 115788
1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-
CID 199139
1-[3-[[3-(Trifluoromethyl)phenyl]methoxy]phenyl]hexan-1-ol
CID 21288515
1-[1-Hydroxy-2-(3-methylphenoxy)ethyl]cyclobutan-1-ol
CID 145971855
3-{3-[3-(3-Hydroxy-2,2-dimethylpropyl)-phenoxy]-phenyl}-2,2-dimethylpropan-1-ol
CID 11462008
3-(Benzyloxy)phenyl-1-hexanol
CID 21280569
1-(3-Phenoxyphenyl)hexan-1-ol
CID 21288520

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol?
The IUPAC name of 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol (CID 66366462) is 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol?
The canonical SMILES for 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol is Cc1cc(C)cc(OC2CC(O)C23CCCC3)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol?
The InChIKey is PFQQDVWFSNWXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-7-12(2)9-13(8-11)18-15-10-14(17)16(15)5-3-4-6-16/h7-9,14-15,17H,3-6,10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol?
3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol is sourced from PubChem (CID 66366462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).