3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one

C25H24O2 — CID 58095577

IUPAC3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one
SMILESCCc1ccc(C2(c3ccc(OCc4ccccc4)cc3)CC(=O)C2)cc1
InChIInChI=1S/C25H24O2/c1-2-19-8-10-21(11-9-19)25(16-23(26)17-25)22-12-14-24(15-13-22)27-18-20-6-4-3-5-7-20/h3-15H,2,16-18H2,1H3
InChIKeyKXFHHOLEDQJLOI-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.48
Rot. Bonds6

About 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one

3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one (PubChem CID 58095577) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one
PubChem CID58095577
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one
SMILESCCc1ccc(C2(c3ccc(OCc4ccccc4)cc3)CC(=O)C2)cc1
InChIInChI=1S/C25H24O2/c1-2-19-8-10-21(11-9-19)25(16-23(26)17-25)22-12-14-24(15-13-22)27-18-20-6-4-3-5-7-20/h3-15H,2,16-18H2,1H3
InChIKeyKXFHHOLEDQJLOI-UHFFFAOYSA-N
XLogP5.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
1-ethyl-4-[(4-phenyliodanuidylphenoxy)methyl]benzene
CID 134838310
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-diphenylphosphoryl-4-phenylmethoxybenzene
CID 86086109
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
CID 15054377
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one?
The IUPAC name of 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one (CID 58095577) is 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one is CCc1ccc(C2(c3ccc(OCc4ccccc4)cc3)CC(=O)C2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one?
The InChIKey is KXFHHOLEDQJLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-2-19-8-10-21(11-9-19)25(16-23(26)17-25)22-12-14-24(15-13-22)27-18-20-6-4-3-5-7-20/h3-15H,2,16-18H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one?
3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one has a molecular weight of 356.47 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one is sourced from PubChem (CID 58095577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).