[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol

C17H24O4 — CID 79899040

IUPAC[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol
SMILESCCOc1cccc(CO)c1OC1CCOC2(CCC2)C1
InChIInChI=1S/C17H24O4/c1-2-19-15-6-3-5-13(12-18)16(15)21-14-7-10-20-17(11-14)8-4-9-17/h3,5-6,14,18H,2,4,7-12H2,1H3
InChIKeySSLRQLZDMLQIGI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.06
Rot. Bonds5

About [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol

[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol (PubChem CID 79899040) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol
PubChem CID79899040
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol
SMILESCCOc1cccc(CO)c1OC1CCOC2(CCC2)C1
InChIInChI=1S/C17H24O4/c1-2-19-15-6-3-5-13(12-18)16(15)21-14-7-10-20-17(11-14)8-4-9-17/h3,5-6,14,18H,2,4,7-12H2,1H3
InChIKeySSLRQLZDMLQIGI-UHFFFAOYSA-N
XLogP3.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79899075
N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine
CID 115952194
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
[3-bromo-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]methanol
CID 79894610
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561
1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 115958121
[3-bromo-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methanamine
CID 79904447
4-[2-bromo-6-(bromomethyl)phenoxy]-1-oxaspiro[5.5]undecane
CID 79900229
2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 107341466
N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63557933

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol?
The IUPAC name of [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol (CID 79899040) is [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol.
What is the SMILES notation for [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol?
The canonical SMILES for [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol is CCOc1cccc(CO)c1OC1CCOC2(CCC2)C1.
What is the InChIKey of [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol?
The InChIKey is SSLRQLZDMLQIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-19-15-6-3-5-13(12-18)16(15)21-14-7-10-20-17(11-14)8-4-9-17/h3,5-6,14,18H,2,4,7-12H2,1H3.
What are the key properties of [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol?
[3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol has a molecular weight of 292.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanol is sourced from PubChem (CID 79899040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).