4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate

C20H22O3 — CID 21468304

IUPAC4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate
SMILESCC(=O)OC(C)CCc1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H22O3/c1-14(23-16(3)22)4-5-17-6-8-19(9-7-17)20-12-10-18(11-13-20)15(2)21/h6-14H,4-5H2,1-3H3
InChIKeyUCAPPAALROMHCU-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.44
Rot. Bonds6

About 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate

4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate (PubChem CID 21468304) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate.

Molecular Properties

Compound Name4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate
PubChem CID21468304
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate
SMILESCC(=O)OC(C)CCc1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H22O3/c1-14(23-16(3)22)4-5-17-6-8-19(9-7-17)20-12-10-18(11-13-20)15(2)21/h6-14H,4-5H2,1-3H3
InChIKeyUCAPPAALROMHCU-UHFFFAOYSA-N
XLogP4.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3,3-bis(methylamino)propyl]phenyl]ethanone
CID 175185737
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566
4-(3-methoxybutyl)benzoic acid
CID 117111500
7-[4-(4-acetyloxyphenyl)phenyl]heptan-2-yl benzoate
CID 139657519
1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
3-[4-(4-acetylphenyl)phenyl]butyl acetate
CID 139763470
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
[4-[4-(3-phenylmethoxybutyl)phenyl]phenyl] acetate
CID 139657351
1-methylsulfanylpropan-2-yl 4-acetylbenzoate
CID 75484511
[(2S)-heptan-2-yl] 4-[4-[4-[(2S)-heptan-2-yl]oxycarbonylphenyl]phenyl]benzoate
CID 70011621

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate?
The IUPAC name of 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate (CID 21468304) is 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate.
What is the SMILES notation for 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate?
The canonical SMILES for 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate is CC(=O)OC(C)CCc1ccc(-c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate?
The InChIKey is UCAPPAALROMHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-14(23-16(3)22)4-5-17-6-8-19(9-7-17)20-12-10-18(11-13-20)15(2)21/h6-14H,4-5H2,1-3H3.
What are the key properties of 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate?
4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate has a molecular weight of 310.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetylphenyl)phenyl]butan-2-yl acetate is sourced from PubChem (CID 21468304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).