(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone

C25H34O — CID 15370927

IUPAC(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone
SMILESCCCCc1c(CC)c(CC)c(CC)c(CC)c1C(=O)c1ccccc1
InChIInChI=1S/C25H34O/c1-6-11-17-23-21(9-4)19(7-2)20(8-3)22(10-5)24(23)25(26)18-15-13-12-14-16-18/h12-16H,6-11,17H2,1-5H3
InChIKeyVDYQZIPIYIELNQ-UHFFFAOYSA-N
MW350.55 g/mol
LogP6.51
Rot. Bonds9

About (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone

(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone (PubChem CID 15370927) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone
PubChem CID15370927
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone
SMILESCCCCc1c(CC)c(CC)c(CC)c(CC)c1C(=O)c1ccccc1
InChIInChI=1S/C25H34O/c1-6-11-17-23-21(9-4)19(7-2)20(8-3)22(10-5)24(23)25(26)18-15-13-12-14-16-18/h12-16H,6-11,17H2,1-5H3
InChIKeyVDYQZIPIYIELNQ-UHFFFAOYSA-N
XLogP6.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dibutylnaphthalene-1,2-dicarboxylic acid
CID 19809825
(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 23109188
1-(6-benzoyl-3-ethyl-2-hexylphenyl)butan-1-one
CID 175136578
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
3,5-dibenzyl-6-butylbenzene-1,2,4-tricarboxylic acid
CID 87694638
6-benzyl-3,5-dibutylbenzene-1,2,4-tricarboxylic acid
CID 87694909
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
diphenylmethanone;propan-1-amine
CID 174497329
hexane;1-phenylethanone
CID 160797049
butylbenzene;carbonic acid
CID 158278492
(4-heptyl-2,3,5-trihydroxyphenyl)-phenylmethanone
CID 174471855
(2-amino-4-methyl-5-pentylthiophen-3-yl)-phenylmethanone
CID 65355046

Frequently Asked Questions

What is the IUPAC name of (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone?
The IUPAC name of (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone (CID 15370927) is (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone.
What is the SMILES notation for (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone?
The canonical SMILES for (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone is CCCCc1c(CC)c(CC)c(CC)c(CC)c1C(=O)c1ccccc1.
What is the InChIKey of (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone?
The InChIKey is VDYQZIPIYIELNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-6-11-17-23-21(9-4)19(7-2)20(8-3)22(10-5)24(23)25(26)18-15-13-12-14-16-18/h12-16H,6-11,17H2,1-5H3.
What are the key properties of (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone?
(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone has a molecular weight of 350.55 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone is sourced from PubChem (CID 15370927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).