2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol

C18H27NO3 — CID 74233599

IUPAC2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCCC3(CCOCC3)C2)c1
InChIInChI=1S/C18H27NO3/c20-9-12-22-17-4-1-3-16(13-17)14-19-8-2-5-18(15-19)6-10-21-11-7-18/h1,3-4,13,20H,2,5-12,14-15H2
InChIKeyKCVXTOLNQPPCHG-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.45
Rot. Bonds5

About 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol

2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol (PubChem CID 74233599) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol
PubChem CID74233599
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCCC3(CCOCC3)C2)c1
InChIInChI=1S/C18H27NO3/c20-9-12-22-17-4-1-3-16(13-17)14-19-8-2-5-18(15-19)6-10-21-11-7-18/h1,3-4,13,20H,2,5-12,14-15H2
InChIKeyKCVXTOLNQPPCHG-UHFFFAOYSA-N
XLogP2.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 74242185
(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156656
ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45197896
(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
CID 97482743
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
(3R,4S)-4-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1,4-diazepan-1-yl]oxolan-3-ol
CID 74251336
[(3aR,7aR)-2-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137337059
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
(4R,5S)-7-[[3-(4-piperidin-1-ylbutoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424125
(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 86283734
N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155875271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol?
The IUPAC name of 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol (CID 74233599) is 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol?
The canonical SMILES for 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol is OCCOc1cccc(CN2CCCC3(CCOCC3)C2)c1.
What is the InChIKey of 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol?
The InChIKey is KCVXTOLNQPPCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c20-9-12-22-17-4-1-3-16(13-17)14-19-8-2-5-18(15-19)6-10-21-11-7-18/h1,3-4,13,20H,2,5-12,14-15H2.
What are the key properties of 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol?
2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol has a molecular weight of 305.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol is sourced from PubChem (CID 74233599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).