ethyl 2-benzhydryloxypentanoate

C20H24O3 — CID 22159721

IUPACethyl 2-benzhydryloxypentanoate
SMILESCCCC(OC(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C20H24O3/c1-3-11-18(20(21)22-4-2)23-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18-19H,3-4,11H2,1-2H3
InChIKeyXLJOVQXRROUSJK-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.52
Rot. Bonds8

About ethyl 2-benzhydryloxypentanoate

ethyl 2-benzhydryloxypentanoate (PubChem CID 22159721) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 2-benzhydryloxypentanoate.

Molecular Properties

Compound Nameethyl 2-benzhydryloxypentanoate
PubChem CID22159721
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Nameethyl 2-benzhydryloxypentanoate
SMILESCCCC(OC(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C20H24O3/c1-3-11-18(20(21)22-4-2)23-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18-19H,3-4,11H2,1-2H3
InChIKeyXLJOVQXRROUSJK-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

ethyl 2-benzhydryloxy-2-cyanoacetate
CID 24975162
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-phenylbutanoate;sulfane
CID 174662373
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
4-ethoxy-3-ethoxycarbonyl-4-oxo-2-phenylbutanoic acid
CID 102417452
benzhydryl 2-bromopentanoate
CID 19603754
(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
CID 66664989
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzhydryloxypentanoate?
The IUPAC name of ethyl 2-benzhydryloxypentanoate (CID 22159721) is ethyl 2-benzhydryloxypentanoate.
What is the SMILES notation for ethyl 2-benzhydryloxypentanoate?
The canonical SMILES for ethyl 2-benzhydryloxypentanoate is CCCC(OC(c1ccccc1)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-benzhydryloxypentanoate?
The InChIKey is XLJOVQXRROUSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-11-18(20(21)22-4-2)23-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18-19H,3-4,11H2,1-2H3.
What are the key properties of ethyl 2-benzhydryloxypentanoate?
ethyl 2-benzhydryloxypentanoate has a molecular weight of 312.41 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzhydryloxypentanoate is sourced from PubChem (CID 22159721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).