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

C14H21NO2 — CID 104549171

IUPAC[5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(N2CC(C)(C)C2)cc1CO
InChIInChI=1S/C14H21NO2/c1-4-17-13-6-5-12(7-11(13)8-16)15-9-14(2,3)10-15/h5-7,16H,4,8-10H2,1-3H3
InChIKeyDDLZDVYTSQTNCQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.42
Rot. Bonds4

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

[5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol (PubChem CID 104549171) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol
PubChem CID104549171
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(N2CC(C)(C)C2)cc1CO
InChIInChI=1S/C14H21NO2/c1-4-17-13-6-5-12(7-11(13)8-16)15-9-14(2,3)10-15/h5-7,16H,4,8-10H2,1-3H3
InChIKeyDDLZDVYTSQTNCQ-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.42
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-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol
CID 104549183
[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
3-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 47062156
1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione
CID 63763210
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
CID 79860686

Frequently Asked Questions

What is the IUPAC name of [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol?
The IUPAC name of [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol (CID 104549171) is [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol is CCOc1ccc(N2CC(C)(C)C2)cc1CO.
What is the InChIKey of [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol?
The InChIKey is DDLZDVYTSQTNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-13-6-5-12(7-11(13)8-16)15-9-14(2,3)10-15/h5-7,16H,4,8-10H2,1-3H3.
What are the key properties of [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol?
[5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol is sourced from PubChem (CID 104549171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).