bis(2-cyclobutyl-3,4-dimethylphenyl)methanone

C25H30O — CID 73011576

IUPACbis(2-cyclobutyl-3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(C)c2C2CCC2)c(C2CCC2)c1C
InChIInChI=1S/C25H30O/c1-15-11-13-21(23(17(15)3)19-7-5-8-19)25(26)22-14-12-16(2)18(4)24(22)20-9-6-10-20/h11-14,19-20H,5-10H2,1-4H3
InChIKeyRUDHGIPIRVFVFH-UHFFFAOYSA-N
MW346.51 g/mol
LogP6.69
Rot. Bonds4

About bis(2-cyclobutyl-3,4-dimethylphenyl)methanone

bis(2-cyclobutyl-3,4-dimethylphenyl)methanone (PubChem CID 73011576) has the molecular formula C25H30O and a molecular weight of 346.51 g/mol. Its IUPAC name is bis(2-cyclobutyl-3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Namebis(2-cyclobutyl-3,4-dimethylphenyl)methanone
PubChem CID73011576
Molecular FormulaC25H30O
Molecular Weight346.51 g/mol
Exact Mass346.23
IUPAC Namebis(2-cyclobutyl-3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(C)c2C2CCC2)c(C2CCC2)c1C
InChIInChI=1S/C25H30O/c1-15-11-13-21(23(17(15)3)19-7-5-8-19)25(26)22-14-12-16(2)18(4)24(22)20-9-6-10-20/h11-14,19-20H,5-10H2,1-4H3
InChIKeyRUDHGIPIRVFVFH-UHFFFAOYSA-N
XLogP6.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-3,4-dimethylbenzoic acid
CID 142717985
bis(2-cyclobutyl-3,4-difluorophenyl)methanone
CID 73011575
3-amino-2-cyclohexyl-4-methylbenzamide
CID 19091643
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
bis(2-cyclobutyl-3,4,5-trifluorophenyl)methanone
CID 73011573
2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone
CID 117371020
4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid
CID 96609064
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790265
cyclopentyl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432869
bis(2-cyclopropyl-3-methoxyphenyl)methanone
CID 73011768
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclobutyl-3,4-dimethylphenyl)methanone?
The IUPAC name of bis(2-cyclobutyl-3,4-dimethylphenyl)methanone (CID 73011576) is bis(2-cyclobutyl-3,4-dimethylphenyl)methanone.
What is the SMILES notation for bis(2-cyclobutyl-3,4-dimethylphenyl)methanone?
The canonical SMILES for bis(2-cyclobutyl-3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C)c(C)c2C2CCC2)c(C2CCC2)c1C.
What is the InChIKey of bis(2-cyclobutyl-3,4-dimethylphenyl)methanone?
The InChIKey is RUDHGIPIRVFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O/c1-15-11-13-21(23(17(15)3)19-7-5-8-19)25(26)22-14-12-16(2)18(4)24(22)20-9-6-10-20/h11-14,19-20H,5-10H2,1-4H3.
What are the key properties of bis(2-cyclobutyl-3,4-dimethylphenyl)methanone?
bis(2-cyclobutyl-3,4-dimethylphenyl)methanone has a molecular weight of 346.51 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclobutyl-3,4-dimethylphenyl)methanone is sourced from PubChem (CID 73011576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).