1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol

C17H24O3 — CID 102898614

IUPAC1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C17H24O3/c1-13(18)15-6-2-3-7-16(15)19-12-14-8-11-17(20-14)9-4-5-10-17/h2-3,6-7,13-14,18H,4-5,8-12H2,1H3
InChIKeyUFSMYZFLWLCAIT-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.61
Rot. Bonds4

About 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol

1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol (PubChem CID 102898614) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
PubChem CID102898614
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C17H24O3/c1-13(18)15-6-2-3-7-16(15)19-12-14-8-11-17(20-14)9-4-5-10-17/h2-3,6-7,13-14,18H,4-5,8-12H2,1H3
InChIKeyUFSMYZFLWLCAIT-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898677
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898342
[5-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]boronic acid
CID 102898830
1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol
CID 114224199
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609
2-[(5-bromo-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107284220
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol (CID 102898614) is 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol is CC(O)c1ccccc1OCC1CCC2(CCCC2)O1.
What is the InChIKey of 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol?
The InChIKey is UFSMYZFLWLCAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-13(18)15-6-2-3-7-16(15)19-12-14-8-11-17(20-14)9-4-5-10-17/h2-3,6-7,13-14,18H,4-5,8-12H2,1H3.
What are the key properties of 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol?
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol has a molecular weight of 276.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 102898614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).