tert-butyl 3-phenylmethoxyoxetane-3-carboxylate

C15H20O4 — CID 165386244

IUPACtert-butyl 3-phenylmethoxyoxetane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1(OCc2ccccc2)COC1
InChIInChI=1S/C15H20O4/c1-14(2,3)19-13(16)15(10-17-11-15)18-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyOIPBMFUWNJWUJR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.31
Rot. Bonds4

About tert-butyl 3-phenylmethoxyoxetane-3-carboxylate

tert-butyl 3-phenylmethoxyoxetane-3-carboxylate (PubChem CID 165386244) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 3-phenylmethoxyoxetane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-phenylmethoxyoxetane-3-carboxylate
PubChem CID165386244
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nametert-butyl 3-phenylmethoxyoxetane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1(OCc2ccccc2)COC1
InChIInChI=1S/C15H20O4/c1-14(2,3)19-13(16)15(10-17-11-15)18-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyOIPBMFUWNJWUJR-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-fluoro-2-(3-phenylmethoxyoxetan-3-yl)ethyl]carbamate
CID 162343051
benzyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]propanoate
CID 135742613
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586
tert-butyl 3-formyl-3-phenylmethoxyazetidine-1-carboxylate
CID 115052850
(3S)-5,5-dimethyl-3-phenylmethoxyoxolane-3-carbonyl chloride
CID 125490844
N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
CID 164919372
4-O-benzyl 1-O-tert-butyl 4-formyloxypiperidine-1,4-dicarboxylate
CID 174582044
tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 71268626
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
2-(3-phenylmethoxyoxetan-3-yl)ethanol
CID 130202999
tert-butyl (3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 134817584
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxyoxolane-3-carboxylic acid
CID 67995569

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-phenylmethoxyoxetane-3-carboxylate?
The IUPAC name of tert-butyl 3-phenylmethoxyoxetane-3-carboxylate (CID 165386244) is tert-butyl 3-phenylmethoxyoxetane-3-carboxylate.
What is the SMILES notation for tert-butyl 3-phenylmethoxyoxetane-3-carboxylate?
The canonical SMILES for tert-butyl 3-phenylmethoxyoxetane-3-carboxylate is CC(C)(C)OC(=O)C1(OCc2ccccc2)COC1.
What is the InChIKey of tert-butyl 3-phenylmethoxyoxetane-3-carboxylate?
The InChIKey is OIPBMFUWNJWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-14(2,3)19-13(16)15(10-17-11-15)18-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of tert-butyl 3-phenylmethoxyoxetane-3-carboxylate?
tert-butyl 3-phenylmethoxyoxetane-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-phenylmethoxyoxetane-3-carboxylate is sourced from PubChem (CID 165386244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).