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

C20H21ClO4 — CID 71360491

IUPACpropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCCCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClO4/c1-4-13-24-19(23)20(2,3)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-12H,4,13H2,1-3H3
InChIKeyMOURCOMINDCMDD-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.68
Rot. Bonds7

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

propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate (PubChem CID 71360491) has the molecular formula C20H21ClO4 and a molecular weight of 360.84 g/mol. Its IUPAC name is propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namepropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
PubChem CID71360491
Molecular FormulaC20H21ClO4
Molecular Weight360.84 g/mol
Exact Mass360.11
IUPAC Namepropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
SMILESCCCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClO4/c1-4-13-24-19(23)20(2,3)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-12H,4,13H2,1-3H3
InChIKeyMOURCOMINDCMDD-UHFFFAOYSA-N
XLogP4.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

9-bromononyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 141493265
but-3-enyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 163297688
(2-methylpropan-2-yl)oxycarbonyloxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 56666790
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
N-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxymethanimine oxide
CID 58329127
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 22768000
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;ethyl (2R)-2-amino-3-methylbutanoate
CID 71696337
4-(dihydroxyamino)oxybutyl 2-[4-[1-(4-chlorophenyl)ethenyl]phenoxy]-2-methylpropanoate
CID 89219256
phenacyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 782046

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The IUPAC name of propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate (CID 71360491) is propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate is CCCOC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
The InChIKey is MOURCOMINDCMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO4/c1-4-13-24-19(23)20(2,3)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-12H,4,13H2,1-3H3.
What are the key properties of propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate?
propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate has a molecular weight of 360.84 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 71360491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).