ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one

C24H32O2 — CID 143874775

IUPACethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one
SMILESCC.CCc1cc(OC)ccc1-c1ccc(CC2(CC)CCC2=O)cc1
InChIInChI=1S/C22H26O2.C2H6/c1-4-17-14-19(24-3)10-11-20(17)18-8-6-16(7-9-18)15-22(5-2)13-12-21(22)23;1-2/h6-11,14H,4-5,12-13,15H2,1-3H3;1-2H3
InChIKeyJBURJEKEBNIYTH-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.25
Rot. Bonds6

About ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one

ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one (PubChem CID 143874775) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one.

Molecular Properties

Compound Nameethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one
PubChem CID143874775
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Nameethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one
SMILESCC.CCc1cc(OC)ccc1-c1ccc(CC2(CC)CCC2=O)cc1
InChIInChI=1S/C22H26O2.C2H6/c1-4-17-14-19(24-3)10-11-20(17)18-8-6-16(7-9-18)15-22(5-2)13-12-21(22)23;1-2/h6-11,14H,4-5,12-13,15H2,1-3H3;1-2H3
InChIKeyJBURJEKEBNIYTH-UHFFFAOYSA-N
XLogP6.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one?
The IUPAC name of ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one (CID 143874775) is ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one.
What is the SMILES notation for ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one?
The canonical SMILES for ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one is CC.CCc1cc(OC)ccc1-c1ccc(CC2(CC)CCC2=O)cc1.
What is the InChIKey of ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one?
The InChIKey is JBURJEKEBNIYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2.C2H6/c1-4-17-14-19(24-3)10-11-20(17)18-8-6-16(7-9-18)15-22(5-2)13-12-21(22)23;1-2/h6-11,14H,4-5,12-13,15H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one?
ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one has a molecular weight of 352.52 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one is sourced from PubChem (CID 143874775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).