1,2-bis(4-propoxyphenyl)ethanone

C20H24O3 — CID 58229205

IUPAC1,2-bis(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(CC(=O)c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H24O3/c1-3-13-22-18-9-5-16(6-10-18)15-20(21)17-7-11-19(12-8-17)23-14-4-2/h5-12H,3-4,13-15H2,1-2H3
InChIKeyUSECOFONCKCITC-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.69
Rot. Bonds9

About 1,2-bis(4-propoxyphenyl)ethanone

1,2-bis(4-propoxyphenyl)ethanone (PubChem CID 58229205) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1,2-bis(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name1,2-bis(4-propoxyphenyl)ethanone
PubChem CID58229205
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1,2-bis(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(CC(=O)c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H24O3/c1-3-13-22-18-9-5-16(6-10-18)15-20(21)17-7-11-19(12-8-17)23-14-4-2/h5-12H,3-4,13-15H2,1-2H3
InChIKeyUSECOFONCKCITC-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
CID 63527517
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 60516641
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
[(2S)-octan-2-yl] 4-[2-(4-hexoxyphenyl)-2-oxoethyl]benzoate
CID 152787057

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-propoxyphenyl)ethanone?
The IUPAC name of 1,2-bis(4-propoxyphenyl)ethanone (CID 58229205) is 1,2-bis(4-propoxyphenyl)ethanone.
What is the SMILES notation for 1,2-bis(4-propoxyphenyl)ethanone?
The canonical SMILES for 1,2-bis(4-propoxyphenyl)ethanone is CCCOc1ccc(CC(=O)c2ccc(OCCC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-propoxyphenyl)ethanone?
The InChIKey is USECOFONCKCITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-13-22-18-9-5-16(6-10-18)15-20(21)17-7-11-19(12-8-17)23-14-4-2/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of 1,2-bis(4-propoxyphenyl)ethanone?
1,2-bis(4-propoxyphenyl)ethanone has a molecular weight of 312.41 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-propoxyphenyl)ethanone is sourced from PubChem (CID 58229205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).