(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate

C19H20O5 — CID 17160880

IUPAC(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C19H20O5/c1-4-22-16-9-5-15(6-10-16)19(21)24-17-11-7-14(8-12-17)18(20)23-13(2)3/h5-13H,4H2,1-3H3
InChIKeyGJVRDDNXROZSMY-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.87
Rot. Bonds6

About (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate

(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate (PubChem CID 17160880) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate.

Molecular Properties

Compound Name(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
PubChem CID17160880
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C19H20O5/c1-4-22-16-9-5-15(6-10-16)19(21)24-17-11-7-14(8-12-17)18(20)23-13(2)3/h5-13H,4H2,1-3H3
InChIKeyGJVRDDNXROZSMY-UHFFFAOYSA-N
XLogP3.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.87
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

[4-(4-propan-2-yloxycarbonylphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101077333
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxyphenyl] 4-ethoxybenzoate
CID 170254641
(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
CID 17160934
[4-[2-[2-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyethoxy]ethoxycarbonyl]phenyl] 4-ethoxybenzoate
CID 101052638

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate?
The IUPAC name of (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate (CID 17160880) is (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate.
What is the SMILES notation for (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate?
The canonical SMILES for (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate?
The InChIKey is GJVRDDNXROZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-4-22-16-9-5-15(6-10-16)19(21)24-17-11-7-14(8-12-17)18(20)23-13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate?
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate has a molecular weight of 328.36 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate is sourced from PubChem (CID 17160880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).