propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate

C20H22O5 — CID 17162418

IUPACpropan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate
SMILESCC(C)OC(=O)c1cccc(OC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C20H22O5/c1-13(2)23-17-10-8-15(9-11-17)19(21)25-18-7-5-6-16(12-18)20(22)24-14(3)4/h5-14H,1-4H3
InChIKeyRODYVNUZPGPIOV-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.26
Rot. Bonds6

About propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate

propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate (PubChem CID 17162418) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate
PubChem CID17162418
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Namepropan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate
SMILESCC(C)OC(=O)c1cccc(OC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C20H22O5/c1-13(2)23-17-10-8-15(9-11-17)19(21)25-18-7-5-6-16(12-18)20(22)24-14(3)4/h5-14H,1-4H3
InChIKeyRODYVNUZPGPIOV-UHFFFAOYSA-N
XLogP4.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-(3-chlorobenzoyl)oxybenzoate
CID 17162400
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
(3-formylphenyl) 4-propan-2-yloxybenzoate
CID 23011947
propan-2-yl 3-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17162417
butan-2-yl 3-propan-2-yloxybenzoate
CID 82186277
(3-propoxycarbonylphenyl) 3-propan-2-yloxybenzoate
CID 17169726
(3-propan-2-yloxycarbonylphenyl) 5-bromofuran-2-carboxylate
CID 17162377
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
CID 88897133
CID 88897133
(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
CID 17160934
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate?
The IUPAC name of propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate (CID 17162418) is propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate.
What is the SMILES notation for propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate?
The canonical SMILES for propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate is CC(C)OC(=O)c1cccc(OC(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate?
The InChIKey is RODYVNUZPGPIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-13(2)23-17-10-8-15(9-11-17)19(21)25-18-7-5-6-16(12-18)20(22)24-14(3)4/h5-14H,1-4H3.
What are the key properties of propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate?
propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate has a molecular weight of 342.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate is sourced from PubChem (CID 17162418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).