phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate

C24H22O4 — CID 21320371

IUPACphenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate
SMILESCCC(Oc1ccc(C(=O)c2ccccc2C)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C24H22O4/c1-3-22(24(26)28-19-10-5-4-6-11-19)27-20-15-13-18(14-16-20)23(25)21-12-8-7-9-17(21)2/h4-16,22H,3H2,1-2H3
InChIKeyAICLYFUVZASNQY-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.99
Rot. Bonds7

About phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate

phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate (PubChem CID 21320371) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate.

Molecular Properties

Compound Namephenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate
PubChem CID21320371
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Namephenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate
SMILESCCC(Oc1ccc(C(=O)c2ccccc2C)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C24H22O4/c1-3-22(24(26)28-19-10-5-4-6-11-19)27-20-15-13-18(14-16-20)23(25)21-12-8-7-9-17(21)2/h4-16,22H,3H2,1-2H3
InChIKeyAICLYFUVZASNQY-UHFFFAOYSA-N
XLogP4.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[1,2-bis[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
CID 70584229
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
N-(2-benzoylphenyl)-2-(4-fluorophenoxy)butanamide
CID 132656695
2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one
CID 43799872
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
CID 21320367
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
2-methoxyethyl 3-[2-(4-phenylphenoxy)butanoyloxy]benzoate
CID 17170904
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
CID 54333004
3-methyl-4-(2-phenoxybutanoylamino)benzoic acid
CID 17342639

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate?
The IUPAC name of phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate (CID 21320371) is phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate.
What is the SMILES notation for phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate?
The canonical SMILES for phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate is CCC(Oc1ccc(C(=O)c2ccccc2C)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate?
The InChIKey is AICLYFUVZASNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-3-22(24(26)28-19-10-5-4-6-11-19)27-20-15-13-18(14-16-20)23(25)21-12-8-7-9-17(21)2/h4-16,22H,3H2,1-2H3.
What are the key properties of phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate?
phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate has a molecular weight of 374.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[4-(2-methylbenzoyl)phenoxy]butanoate is sourced from PubChem (CID 21320371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).