[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol

C12H17NO3 — CID 104549275

IUPAC[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol
SMILESCOC1(OC)CN(c2ccccc2CO)C1
InChIInChI=1S/C12H17NO3/c1-15-12(16-2)8-13(9-12)11-6-4-3-5-10(11)7-14/h3-6,14H,7-9H2,1-2H3
InChIKeyPLZKMWPDXWFWKQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.99
Rot. Bonds4

About [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol

[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol (PubChem CID 104549275) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol
PubChem CID104549275
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol
SMILESCOC1(OC)CN(c2ccccc2CO)C1
InChIInChI=1S/C12H17NO3/c1-15-12(16-2)8-13(9-12)11-6-4-3-5-10(11)7-14/h3-6,14H,7-9H2,1-2H3
InChIKeyPLZKMWPDXWFWKQ-UHFFFAOYSA-N
XLogP0.99
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine
CID 79677271
[4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol
CID 104549708
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 43121084
N-[1-[2-(3,3-dimethoxyazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79678785
[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393102
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79175516
[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
CID 63608891
[2-(4-cyclopentylpiperazin-1-yl)phenyl]methanol
CID 62369445
methyl 2-[2-(2,5-dihydropyrrol-1-yl)phenyl]acetate
CID 10398443
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione
CID 62934174

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol?
The IUPAC name of [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol (CID 104549275) is [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol is COC1(OC)CN(c2ccccc2CO)C1.
What is the InChIKey of [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol?
The InChIKey is PLZKMWPDXWFWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-12(16-2)8-13(9-12)11-6-4-3-5-10(11)7-14/h3-6,14H,7-9H2,1-2H3.
What are the key properties of [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol?
[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol has a molecular weight of 223.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol is sourced from PubChem (CID 104549275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).