ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

C19H19ClO4 — CID 3038934

IUPACethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClO4/c1-4-23-18(22)19(2,3)24-16-11-7-14(8-12-16)17(21)13-5-9-15(20)10-6-13/h5-12H,4H2,1-3H3
InChIKeyWAROHEJQMZXNDT-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.29
Rot. Bonds6

About ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate (PubChem CID 3038934) has the molecular formula C19H19ClO4 and a molecular weight of 346.81 g/mol. Its IUPAC name is ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
PubChem CID3038934
Molecular FormulaC19H19ClO4
Molecular Weight346.81 g/mol
Exact Mass346.10
IUPAC Nameethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClO4/c1-4-23-18(22)19(2,3)24-16-11-7-14(8-12-16)17(21)13-5-9-15(20)10-6-13/h5-12H,4H2,1-3H3
InChIKeyWAROHEJQMZXNDT-UHFFFAOYSA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate (CID 3038934) is ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The InChIKey is WAROHEJQMZXNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO4/c1-4-23-18(22)19(2,3)24-16-11-7-14(8-12-16)17(21)13-5-9-15(20)10-6-13/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate has a molecular weight of 346.81 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 3038934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).