[4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol

C12H17NO3 — CID 104549708

IUPAC[4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol
SMILESCOC1(OC)CN(c2ccc(CO)cc2)C1
InChIInChI=1S/C12H17NO3/c1-15-12(16-2)8-13(9-12)11-5-3-10(7-14)4-6-11/h3-6,14H,7-9H2,1-2H3
InChIKeyNRPZLIMQSANVMJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.99
Rot. Bonds4

About [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol

[4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol (PubChem CID 104549708) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol
PubChem CID104549708
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol
SMILESCOC1(OC)CN(c2ccc(CO)cc2)C1
InChIInChI=1S/C12H17NO3/c1-15-12(16-2)8-13(9-12)11-5-3-10(7-14)4-6-11/h3-6,14H,7-9H2,1-2H3
InChIKeyNRPZLIMQSANVMJ-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': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol?
The IUPAC name of [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol (CID 104549708) is [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol?
The canonical SMILES for [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol is COC1(OC)CN(c2ccc(CO)cc2)C1.
What is the InChIKey of [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol?
The InChIKey is NRPZLIMQSANVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-12(16-2)8-13(9-12)11-5-3-10(7-14)4-6-11/h3-6,14H,7-9H2,1-2H3.
What are the key properties of [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol?
[4-(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 [4-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol is sourced from PubChem (CID 104549708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).