propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate

C20H22O5 — CID 142863752

IUPACpropan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
SMILESCC(C)OC(=O)c1ccc(Oc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H22O5/c1-13(2)23-19(21)15-5-9-17(10-6-15)25-18-11-7-16(8-12-18)20(22)24-14(3)4/h5-14H,1-4H3
InChIKeyZJOQCELMMDEVFU-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.61
Rot. Bonds6

About propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate

propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate (PubChem CID 142863752) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
PubChem CID142863752
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Namepropan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
SMILESCC(C)OC(=O)c1ccc(Oc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H22O5/c1-13(2)23-19(21)15-5-9-17(10-6-15)25-18-11-7-16(8-12-18)20(22)24-14(3)4/h5-14H,1-4H3
InChIKeyZJOQCELMMDEVFU-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
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propan-2-yl 4-benzoyloxybenzoate
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1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
propan-2-yl 4-ethylbenzoate
CID 583760
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
CID 88897133
CID 88897133
(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
CID 17160934

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate?
The IUPAC name of propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate (CID 142863752) is propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate.
What is the SMILES notation for propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate?
The canonical SMILES for propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate is CC(C)OC(=O)c1ccc(Oc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate?
The InChIKey is ZJOQCELMMDEVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-13(2)23-19(21)15-5-9-17(10-6-15)25-18-11-7-16(8-12-18)20(22)24-14(3)4/h5-14H,1-4H3.
What are the key properties of propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate?
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate has a molecular weight of 342.39 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate is sourced from PubChem (CID 142863752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).