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

C18H17ClO4 — CID 3038933

IUPACmethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClO4/c1-18(2,17(21)22-3)23-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11H,1-3H3
InChIKeyYNSXVMKCLCCCBA-UHFFFAOYSA-N
MW332.78 g/mol
LogP3.90
Rot. Bonds5

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

methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate (PubChem CID 3038933) has the molecular formula C18H17ClO4 and a molecular weight of 332.78 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
PubChem CID3038933
Molecular FormulaC18H17ClO4
Molecular Weight332.78 g/mol
Exact Mass332.08
IUPAC Namemethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClO4/c1-18(2,17(21)22-3)23-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11H,1-3H3
InChIKeyYNSXVMKCLCCCBA-UHFFFAOYSA-N
XLogP3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate (CID 3038933) is methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate is COC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The InChIKey is YNSXVMKCLCCCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO4/c1-18(2,17(21)22-3)23-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11H,1-3H3.
What are the key properties of methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate has a molecular weight of 332.78 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 3038933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).