tert-butyl 2-benzhydryloxypropanoate

C20H24O3 — CID 19020212

IUPACtert-butyl 2-benzhydryloxypropanoate
SMILESCC(OC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H24O3/c1-15(19(21)23-20(2,3)4)22-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,1-4H3
InChIKeyODXLBKJMHMYFFU-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl 2-benzhydryloxypropanoate

tert-butyl 2-benzhydryloxypropanoate (PubChem CID 19020212) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 2-benzhydryloxypropanoate.

Molecular Properties

Compound Nametert-butyl 2-benzhydryloxypropanoate
PubChem CID19020212
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Nametert-butyl 2-benzhydryloxypropanoate
SMILESCC(OC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H24O3/c1-15(19(21)23-20(2,3)4)22-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,1-4H3
InChIKeyODXLBKJMHMYFFU-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylbutanoic acid
CID 174297435
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
tert-butyl (2S)-2-phenoxycarbonyloxypropanoate
CID 177161092
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658
tert-butyl 2-(4-methylphenyl)-2-phenylacetate
CID 142375777
(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutanoic acid
CID 122198711
1-O-benzhydryl 3-O-tert-butyl propanedioate
CID 71746700
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
tert-butyl (2R,3S)-3-azido-2-hydroxy-3-phenylpropanoate
CID 10539484
tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate
CID 24977280

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-benzhydryloxypropanoate?
The IUPAC name of tert-butyl 2-benzhydryloxypropanoate (CID 19020212) is tert-butyl 2-benzhydryloxypropanoate.
What is the SMILES notation for tert-butyl 2-benzhydryloxypropanoate?
The canonical SMILES for tert-butyl 2-benzhydryloxypropanoate is CC(OC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-benzhydryloxypropanoate?
The InChIKey is ODXLBKJMHMYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-15(19(21)23-20(2,3)4)22-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,1-4H3.
What are the key properties of tert-butyl 2-benzhydryloxypropanoate?
tert-butyl 2-benzhydryloxypropanoate has a molecular weight of 312.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-benzhydryloxypropanoate is sourced from PubChem (CID 19020212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).