[5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol

C16H25NO2 — CID 104549183

IUPAC[5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(N2CC(CC)(CC)C2)cc1CO
InChIInChI=1S/C16H25NO2/c1-4-16(5-2)11-17(12-16)14-7-8-15(19-6-3)13(9-14)10-18/h7-9,18H,4-6,10-12H2,1-3H3
InChIKeyVJTOIXZVBMWWIW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds6

About [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol

[5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol (PubChem CID 104549183) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol
PubChem CID104549183
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(N2CC(CC)(CC)C2)cc1CO
InChIInChI=1S/C16H25NO2/c1-4-16(5-2)11-17(12-16)14-7-8-15(19-6-3)13(9-14)10-18/h7-9,18H,4-6,10-12H2,1-3H3
InChIKeyVJTOIXZVBMWWIW-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol
CID 104549171
[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol
CID 104549192
3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione
CID 114007866
3-[4-ethoxy-3-(hydroxymethyl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690097
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
3-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 47062156
(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938
4-(3,3-diethylazetidin-1-yl)-2-fluoropyridine
CID 130736594
2-ethoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 55232962
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811

Frequently Asked Questions

What is the IUPAC name of [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol?
The IUPAC name of [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol (CID 104549183) is [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol is CCOc1ccc(N2CC(CC)(CC)C2)cc1CO.
What is the InChIKey of [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol?
The InChIKey is VJTOIXZVBMWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-16(5-2)11-17(12-16)14-7-8-15(19-6-3)13(9-14)10-18/h7-9,18H,4-6,10-12H2,1-3H3.
What are the key properties of [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol?
[5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol is sourced from PubChem (CID 104549183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).