4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one

C21H24O3 — CID 153375381

IUPAC4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one
SMILESCC(=O)CC(C)(C)Oc1ccc(C(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C21H24O3/c1-15-5-7-17(8-6-15)13-20(23)18-9-11-19(12-10-18)24-21(3,4)14-16(2)22/h5-12H,13-14H2,1-4H3
InChIKeyRVEGPPASDIYZFQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.56
Rot. Bonds7

About 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one

4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one (PubChem CID 153375381) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one.

Molecular Properties

Compound Name4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one
PubChem CID153375381
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one
SMILESCC(=O)CC(C)(C)Oc1ccc(C(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C21H24O3/c1-15-5-7-17(8-6-15)13-20(23)18-9-11-19(12-10-18)24-21(3,4)14-16(2)22/h5-12H,13-14H2,1-4H3
InChIKeyRVEGPPASDIYZFQ-UHFFFAOYSA-N
XLogP4.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[4-[2-(4-methylphenyl)ethoxy]phenoxy]pentan-2-one
CID 153375370
1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
CID 63527517
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl] 4-hydroxybenzoate
CID 89329144
N-tert-butyl-3-methyl-3-(4-methylphenoxy)butanamide
CID 165032622
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
4-(3,4-difluorophenoxy)-4-methylpentan-2-one
CID 82081319
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one?
The IUPAC name of 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one (CID 153375381) is 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one.
What is the SMILES notation for 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one?
The canonical SMILES for 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one is CC(=O)CC(C)(C)Oc1ccc(C(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one?
The InChIKey is RVEGPPASDIYZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-15-5-7-17(8-6-15)13-20(23)18-9-11-19(12-10-18)24-21(3,4)14-16(2)22/h5-12H,13-14H2,1-4H3.
What are the key properties of 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one?
4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one has a molecular weight of 324.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one is sourced from PubChem (CID 153375381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).