tert-butyl 2-phenylmethoxy-4-propanoylbenzoate

C21H24O4 — CID 70815239

IUPACtert-butyl 2-phenylmethoxy-4-propanoylbenzoate
SMILESCCC(=O)c1ccc(C(=O)OC(C)(C)C)c(OCc2ccccc2)c1
InChIInChI=1S/C21H24O4/c1-5-18(22)16-11-12-17(20(23)25-21(2,3)4)19(13-16)24-14-15-9-7-6-8-10-15/h6-13H,5,14H2,1-4H3
InChIKeySCJLSGMGPDSLNW-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.81
Rot. Bonds6

About tert-butyl 2-phenylmethoxy-4-propanoylbenzoate

tert-butyl 2-phenylmethoxy-4-propanoylbenzoate (PubChem CID 70815239) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl 2-phenylmethoxy-4-propanoylbenzoate.

Molecular Properties

Compound Nametert-butyl 2-phenylmethoxy-4-propanoylbenzoate
PubChem CID70815239
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Nametert-butyl 2-phenylmethoxy-4-propanoylbenzoate
SMILESCCC(=O)c1ccc(C(=O)OC(C)(C)C)c(OCc2ccccc2)c1
InChIInChI=1S/C21H24O4/c1-5-18(22)16-11-12-17(20(23)25-21(2,3)4)19(13-16)24-14-15-9-7-6-8-10-15/h6-13H,5,14H2,1-4H3
InChIKeySCJLSGMGPDSLNW-UHFFFAOYSA-N
XLogP4.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
tert-butyl 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxycarbonylbenzoyl)benzoate
CID 11006693
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate
CID 16664137
tert-butyl 4-(3-formyl-4-phenylmethoxyphenyl)benzoate
CID 178183614
tert-butyl 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxynaphthalene-1-carbonyl)benzoate
CID 10886822
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
tert-butyl 3-ethyl-5-methyl-4-phenylmethoxybenzoate
CID 66932009
tert-butyl 4-(2-formyl-3-phenylmethoxyphenyl)benzoate
CID 178183494
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
tert-butyl 4-[2-(hydroxymethyl)naphthalene-1-carbonyl]-3,5-bis(phenylmethoxy)benzoate
CID 11813845
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenylmethoxy-4-propanoylbenzoate?
The IUPAC name of tert-butyl 2-phenylmethoxy-4-propanoylbenzoate (CID 70815239) is tert-butyl 2-phenylmethoxy-4-propanoylbenzoate.
What is the SMILES notation for tert-butyl 2-phenylmethoxy-4-propanoylbenzoate?
The canonical SMILES for tert-butyl 2-phenylmethoxy-4-propanoylbenzoate is CCC(=O)c1ccc(C(=O)OC(C)(C)C)c(OCc2ccccc2)c1.
What is the InChIKey of tert-butyl 2-phenylmethoxy-4-propanoylbenzoate?
The InChIKey is SCJLSGMGPDSLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-5-18(22)16-11-12-17(20(23)25-21(2,3)4)19(13-16)24-14-15-9-7-6-8-10-15/h6-13H,5,14H2,1-4H3.
What are the key properties of tert-butyl 2-phenylmethoxy-4-propanoylbenzoate?
tert-butyl 2-phenylmethoxy-4-propanoylbenzoate has a molecular weight of 340.42 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenylmethoxy-4-propanoylbenzoate is sourced from PubChem (CID 70815239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).