3-(4-methylphenoxy)spiro[3.6]decan-1-ol

C17H24O2 — CID 66367094

IUPAC3-(4-methylphenoxy)spiro[3.6]decan-1-ol
SMILESCc1ccc(OC2CC(O)C23CCCCCC3)cc1
InChIInChI=1S/C17H24O2/c1-13-6-8-14(9-7-13)19-16-12-15(18)17(16)10-4-2-3-5-11-17/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyOGBYOTCYTVPEHU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.85
Rot. Bonds2

About 3-(4-methylphenoxy)spiro[3.6]decan-1-ol

3-(4-methylphenoxy)spiro[3.6]decan-1-ol (PubChem CID 66367094) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(4-methylphenoxy)spiro[3.6]decan-1-ol.

Molecular Properties

Compound Name3-(4-methylphenoxy)spiro[3.6]decan-1-ol
PubChem CID66367094
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-(4-methylphenoxy)spiro[3.6]decan-1-ol
SMILESCc1ccc(OC2CC(O)C23CCCCCC3)cc1
InChIInChI=1S/C17H24O2/c1-13-6-8-14(9-7-13)19-16-12-15(18)17(16)10-4-2-3-5-11-17/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyOGBYOTCYTVPEHU-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)spiro[3.6]decan-1-ol?
The IUPAC name of 3-(4-methylphenoxy)spiro[3.6]decan-1-ol (CID 66367094) is 3-(4-methylphenoxy)spiro[3.6]decan-1-ol.
What is the SMILES notation for 3-(4-methylphenoxy)spiro[3.6]decan-1-ol?
The canonical SMILES for 3-(4-methylphenoxy)spiro[3.6]decan-1-ol is Cc1ccc(OC2CC(O)C23CCCCCC3)cc1.
What is the InChIKey of 3-(4-methylphenoxy)spiro[3.6]decan-1-ol?
The InChIKey is OGBYOTCYTVPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13-6-8-14(9-7-13)19-16-12-15(18)17(16)10-4-2-3-5-11-17/h6-9,15-16,18H,2-5,10-12H2,1H3.
What are the key properties of 3-(4-methylphenoxy)spiro[3.6]decan-1-ol?
3-(4-methylphenoxy)spiro[3.6]decan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)spiro[3.6]decan-1-ol is sourced from PubChem (CID 66367094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).