2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol

C18H26O3 — CID 107713039

IUPAC2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
SMILESOCCc1ccccc1OC1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H26O3/c19-12-8-15-6-2-3-7-17(15)21-16-9-13-20-18(14-16)10-4-1-5-11-18/h2-3,6-7,16,19H,1,4-5,8-14H2
InChIKeyRFDYRNLXLAEIEM-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.48
Rot. Bonds4

About 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol

2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol (PubChem CID 107713039) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
PubChem CID107713039
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
SMILESOCCc1ccccc1OC1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H26O3/c19-12-8-15-6-2-3-7-17(15)21-16-9-13-20-18(14-16)10-4-1-5-11-18/h2-3,6-7,16,19H,1,4-5,8-14H2
InChIKeyRFDYRNLXLAEIEM-UHFFFAOYSA-N
XLogP3.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908189
4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
9-[4-bromo-2-(chloromethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894152
2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarbothioamide
CID 79905444
1-[5-fluoro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]-N-methylmethanamine
CID 107695140
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899824
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
9-[2-(chloromethyl)-4-methoxyphenoxy]-6-oxaspiro[4.5]decane
CID 79899956
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol?
The IUPAC name of 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol (CID 107713039) is 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol is OCCc1ccccc1OC1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol?
The InChIKey is RFDYRNLXLAEIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c19-12-8-15-6-2-3-7-17(15)21-16-9-13-20-18(14-16)10-4-1-5-11-18/h2-3,6-7,16,19H,1,4-5,8-14H2.
What are the key properties of 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol?
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol has a molecular weight of 290.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol is sourced from PubChem (CID 107713039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).