[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol

C15H23NO2 — CID 104549192

IUPAC[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol
SMILESCCOc1ccc(N2CC(C(C)C)C2)cc1CO
InChIInChI=1S/C15H23NO2/c1-4-18-15-6-5-14(7-12(15)10-17)16-8-13(9-16)11(2)3/h5-7,11,13,17H,4,8-10H2,1-3H3
InChIKeyGEWYGZUWGORTOV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.67
Rot. Bonds5

About [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol

[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol (PubChem CID 104549192) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol
PubChem CID104549192
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol
SMILESCCOc1ccc(N2CC(C(C)C)C2)cc1CO
InChIInChI=1S/C15H23NO2/c1-4-18-15-6-5-14(7-12(15)10-17)16-8-13(9-16)11(2)3/h5-7,11,13,17H,4,8-10H2,1-3H3
InChIKeyGEWYGZUWGORTOV-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.67
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
[5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol
CID 104549183
[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
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]imidazolidine-2,4-dione
CID 114007866
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
3-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 47062156
1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine
CID 64920411
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
1-[1-(3-ethoxy-4-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 115966605

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol?
The IUPAC name of [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol (CID 104549192) is [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol is CCOc1ccc(N2CC(C(C)C)C2)cc1CO.
What is the InChIKey of [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol?
The InChIKey is GEWYGZUWGORTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-15-6-5-14(7-12(15)10-17)16-8-13(9-16)11(2)3/h5-7,11,13,17H,4,8-10H2,1-3H3.
What are the key properties of [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol?
[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol is sourced from PubChem (CID 104549192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).