1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol

C14H19NO3 — CID 63282356

IUPAC1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol
SMILESCC1(c2ccccc2)OCC(CN2CC(O)C2)O1
InChIInChI=1S/C14H19NO3/c1-14(11-5-3-2-4-6-11)17-10-13(18-14)9-15-7-12(16)8-15/h2-6,12-13,16H,7-10H2,1H3
InChIKeyILXSITZUNSTPLB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.95
Rot. Bonds3

About 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol

1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol (PubChem CID 63282356) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol
PubChem CID63282356
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol
SMILESCC1(c2ccccc2)OCC(CN2CC(O)C2)O1
InChIInChI=1S/C14H19NO3/c1-14(11-5-3-2-4-6-11)17-10-13(18-14)9-15-7-12(16)8-15/h2-6,12-13,16H,7-10H2,1H3
InChIKeyILXSITZUNSTPLB-UHFFFAOYSA-N
XLogP0.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 65448257
2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 64980499
[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol
CID 62020984
O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
CID 10465682
2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol
CID 62021539
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylsulfanyl]butan-2-amine
CID 66229158
[(2S,4R)-2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872527
4-(chloromethyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 82775614
2-[2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117170008
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine
CID 92974402
3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol
CID 117169822
[2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117169887

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol (CID 63282356) is 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol is CC1(c2ccccc2)OCC(CN2CC(O)C2)O1.
What is the InChIKey of 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol?
The InChIKey is ILXSITZUNSTPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(11-5-3-2-4-6-11)17-10-13(18-14)9-15-7-12(16)8-15/h2-6,12-13,16H,7-10H2,1H3.
What are the key properties of 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol?
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol has a molecular weight of 249.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol is sourced from PubChem (CID 63282356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).