1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone

C23H22O2 — CID 59457885

IUPAC1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
SMILESCCCOc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C23H22O2/c1-3-16-25-23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-6-4-18(5-7-19)17(2)24/h4-15H,3,16H2,1-2H3
InChIKeyDEUNAIFJRGJKGK-UHFFFAOYSA-N
MW330.43 g/mol
LogP6.01
Rot. Bonds6

About 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone

1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone (PubChem CID 59457885) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
PubChem CID59457885
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
SMILESCCCOc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C23H22O2/c1-3-16-25-23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-6-4-18(5-7-19)17(2)24/h4-15H,3,16H2,1-2H3
InChIKeyDEUNAIFJRGJKGK-UHFFFAOYSA-N
XLogP6.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
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1-[4-[5-(4-hexoxyphenyl)-2-pyridinyl]phenyl]ethanone
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1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone
CID 176900313
2-methyl-1-(4-propoxyphenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone (CID 59457885) is 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone is CCCOc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone?
The InChIKey is DEUNAIFJRGJKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-3-16-25-23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-6-4-18(5-7-19)17(2)24/h4-15H,3,16H2,1-2H3.
What are the key properties of 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone?
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 59457885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).