(4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate

C25H24O4 — CID 19179774

IUPAC(4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate
SMILESCc1cc(C(=O)c2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C25H24O4/c1-17(2)19-9-12-22(13-10-19)28-16-24(26)29-23-14-11-21(15-18(23)3)25(27)20-7-5-4-6-8-20/h4-15,17H,16H2,1-3H3
InChIKeyARHGZQRZGJOXIB-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.33
Rot. Bonds7

About (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate

(4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate (PubChem CID 19179774) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate
PubChem CID19179774
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name(4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate
SMILESCc1cc(C(=O)c2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C25H24O4/c1-17(2)19-9-12-22(13-10-19)28-16-24(26)29-23-14-11-21(15-18(23)3)25(27)20-7-5-4-6-8-20/h4-15,17H,16H2,1-3H3
InChIKeyARHGZQRZGJOXIB-UHFFFAOYSA-N
XLogP5.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.33
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

(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19179632
(4-chloro-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate
CID 720827
(4-benzoyl-2-methylphenyl) 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetate
CID 19205830
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
(2-chloro-4-nitrophenyl) 2-(4-benzoylphenoxy)acetate
CID 8881767
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate
CID 5202902
(4-benzoyl-2-methylphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 19181764
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
(3,4-difluorophenyl) 2-(4-benzoylphenoxy)acetate
CID 8751820
(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
CID 23732050
2-methylpropyl 3-[2-(4-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 17171143

Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate?
The IUPAC name of (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate (CID 19179774) is (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate?
The canonical SMILES for (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate is Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate?
The InChIKey is ARHGZQRZGJOXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-17(2)19-9-12-22(13-10-19)28-16-24(26)29-23-14-11-21(15-18(23)3)25(27)20-7-5-4-6-8-20/h4-15,17H,16H2,1-3H3.
What are the key properties of (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate?
(4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 388.46 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 19179774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).