propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

C20H21ClO4 — CID 3339

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IUPACpropan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
InChIKeyYMTINGFKWWXKFG-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.68
Rot. Bonds6

About propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate (PubChem CID 3339) has the molecular formula C20H21ClO4 and a molecular weight of 360.84 g/mol. Its IUPAC name is propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
PubChem CID3339
Molecular FormulaC20H21ClO4
Molecular Weight360.84 g/mol
Exact Mass360.11
IUPAC Namepropan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
InChIKeyYMTINGFKWWXKFG-UHFFFAOYSA-N
XLogP4.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fenofibric Acid
CID 64929
Choline Fenofibrate
CID 11350701
Methyl 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methylpropanoate
CID 30602
4-Chloro-4'-methoxychalcone
CID 5302715
Beclobrate
CID 51348
4-Chloro-4'-methoxybenzophenone
CID 82719
4'-Chloro-4-methoxychalcone
CID 5337609
4-Methylphenyl 4-chlorobenzoate
CID 223462
1-(4-((4-Chlorobenzyl)oxy)phenyl)ethanone
CID 580653
4-(4-Chlorobenzoyl)phenyl 2,2-dimethylpropanoate
CID 14010407
Methyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
CID 3038933
2-(4-Benzoylphenoxy)acetic acid
CID 80609

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The IUPAC name of propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate (CID 3339) is propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate is CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The InChIKey is YMTINGFKWWXKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3.
What are the key properties of propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate has a molecular weight of 360.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 3339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).