methyl 3-(4-phenylphenyl)oxetane-3-carboxylate

C17H16O3 — CID 116873513

IUPACmethyl 3-(4-phenylphenyl)oxetane-3-carboxylate
SMILESCOC(=O)C1(c2ccc(-c3ccccc3)cc2)COC1
InChIInChI=1S/C17H16O3/c1-19-16(18)17(11-20-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyOXUDJTCVZSFMNK-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.79
Rot. Bonds3

About methyl 3-(4-phenylphenyl)oxetane-3-carboxylate

methyl 3-(4-phenylphenyl)oxetane-3-carboxylate (PubChem CID 116873513) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 3-(4-phenylphenyl)oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-phenylphenyl)oxetane-3-carboxylate
PubChem CID116873513
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 3-(4-phenylphenyl)oxetane-3-carboxylate
SMILESCOC(=O)C1(c2ccc(-c3ccccc3)cc2)COC1
InChIInChI=1S/C17H16O3/c1-19-16(18)17(11-20-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyOXUDJTCVZSFMNK-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 71266196
CID 89411850
CID 89411850
methyl 3-phenyl-2,4-dihydropyran-3-carboxylate
CID 132502449
methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate
CID 116873514
methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate
CID 116989348
methyl 3-[4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]oxetane-3-carboxylate
CID 78057728
4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
CID 169449694
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
methyl 3-(1H-benzimidazol-2-yl)oxetane-3-carboxylate
CID 116985512
3-(4-phenylphenyl)oxetan-3-amine
CID 116872637
methyl 3-(4-chlorophenyl)-2,4-dihydropyran-3-carboxylate
CID 132502453

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-phenylphenyl)oxetane-3-carboxylate?
The IUPAC name of methyl 3-(4-phenylphenyl)oxetane-3-carboxylate (CID 116873513) is methyl 3-(4-phenylphenyl)oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-(4-phenylphenyl)oxetane-3-carboxylate?
The canonical SMILES for methyl 3-(4-phenylphenyl)oxetane-3-carboxylate is COC(=O)C1(c2ccc(-c3ccccc3)cc2)COC1.
What is the InChIKey of methyl 3-(4-phenylphenyl)oxetane-3-carboxylate?
The InChIKey is OXUDJTCVZSFMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-16(18)17(11-20-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of methyl 3-(4-phenylphenyl)oxetane-3-carboxylate?
methyl 3-(4-phenylphenyl)oxetane-3-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-phenylphenyl)oxetane-3-carboxylate is sourced from PubChem (CID 116873513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).