phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone

C21H26O — CID 138525815

IUPACphenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone
SMILESCC(C)(C)CC(C)(C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26O/c1-20(2,3)15-21(4,5)18-13-11-17(12-14-18)19(22)16-9-7-6-8-10-16/h6-14H,15H2,1-5H3
InChIKeyRFFROZJZWOLOJV-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.63
Rot. Bonds4

About phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone

phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone (PubChem CID 138525815) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone
PubChem CID138525815
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Namephenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone
SMILESCC(C)(C)CC(C)(C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26O/c1-20(2,3)15-21(4,5)18-13-11-17(12-14-18)19(22)16-9-7-6-8-10-16/h6-14H,15H2,1-5H3
InChIKeyRFFROZJZWOLOJV-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]ethanone
CID 117336917
N-(benzenesulfonyl)-4-(2,4,4-trimethylpentan-2-yl)benzamide
CID 22356861
CID 158792811
CID 158792811
2,2-dimethylpropane;diphenylmethanone
CID 159191976
2,2-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]propanedioic acid
CID 150310481
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
N-[4-(4-benzoylphenyl)-2,4-dimethylpentan-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175613781
2-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 87507091
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
CID 12666774

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone?
The IUPAC name of phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone (CID 138525815) is phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone?
The canonical SMILES for phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone is CC(C)(C)CC(C)(C)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone?
The InChIKey is RFFROZJZWOLOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-20(2,3)15-21(4,5)18-13-11-17(12-14-18)19(22)16-9-7-6-8-10-16/h6-14H,15H2,1-5H3.
What are the key properties of phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone?
phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone has a molecular weight of 294.44 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone is sourced from PubChem (CID 138525815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).