[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol

C17H24O4 — CID 79899358

IUPAC[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
SMILESCc1ccc(OC2CCOC3(CCOCC3)C2)c(CO)c1
InChIInChI=1S/C17H24O4/c1-13-2-3-16(14(10-13)12-18)21-15-4-7-20-17(11-15)5-8-19-9-6-17/h2-3,10,15,18H,4-9,11-12H2,1H3
InChIKeyLPWPECXSWCMIIK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds3

About [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol

[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol (PubChem CID 79899358) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
PubChem CID79899358
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
SMILESCc1ccc(OC2CCOC3(CCOCC3)C2)c(CO)c1
InChIInChI=1S/C17H24O4/c1-13-2-3-16(14(10-13)12-18)21-15-4-7-20-17(11-15)5-8-19-9-6-17/h2-3,10,15,18H,4-9,11-12H2,1H3
InChIKeyLPWPECXSWCMIIK-UHFFFAOYSA-N
XLogP2.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
CID 107690992
4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
CID 79893699
(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899388
[3-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79899075
[5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol
CID 79893844

Frequently Asked Questions

What is the IUPAC name of [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol?
The IUPAC name of [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol (CID 79899358) is [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol.
What is the SMILES notation for [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol?
The canonical SMILES for [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol is Cc1ccc(OC2CCOC3(CCOCC3)C2)c(CO)c1.
What is the InChIKey of [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol?
The InChIKey is LPWPECXSWCMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-13-2-3-16(14(10-13)12-18)21-15-4-7-20-17(11-15)5-8-19-9-6-17/h2-3,10,15,18H,4-9,11-12H2,1H3.
What are the key properties of [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol?
[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol has a molecular weight of 292.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol is sourced from PubChem (CID 79899358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).