1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one

C19H24O4 — CID 173349975

IUPAC1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(CC(C)=O)c(CC(C)=O)c(CC(C)=O)c1C
InChIInChI=1S/C19H24O4/c1-11(20)6-16-10-17(7-12(2)21)19(9-14(4)23)18(15(16)5)8-13(3)22/h10H,6-9H2,1-5H3
InChIKeyVKFIDDNXHCDSPD-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.52
Rot. Bonds8

About 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one

1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one (PubChem CID 173349975) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one
PubChem CID173349975
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(CC(C)=O)c(CC(C)=O)c(CC(C)=O)c1C
InChIInChI=1S/C19H24O4/c1-11(20)6-16-10-17(7-12(2)21)19(9-14(4)23)18(15(16)5)8-13(3)22/h10H,6-9H2,1-5H3
InChIKeyVKFIDDNXHCDSPD-UHFFFAOYSA-N
XLogP2.52
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-3,5-bis(2-oxopropyl)phenyl]propan-2-one
CID 66898502
1-(2-hydroxy-3,4,6-trimethylphenyl)propan-2-one
CID 117114980
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
CID 175507424
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
1-(2,3-dimethyl-5-propan-2-ylphenyl)propan-2-one
CID 117292880
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-one
CID 117294702
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
1-(2-acetyl-6-methylphenyl)propan-2-one
CID 58202287
1-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-one
CID 117458780

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one?
The IUPAC name of 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one (CID 173349975) is 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one is CC(=O)Cc1cc(CC(C)=O)c(CC(C)=O)c(CC(C)=O)c1C.
What is the InChIKey of 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one?
The InChIKey is VKFIDDNXHCDSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-11(20)6-16-10-17(7-12(2)21)19(9-14(4)23)18(15(16)5)8-13(3)22/h10H,6-9H2,1-5H3.
What are the key properties of 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one?
1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3,4,5-tris(2-oxopropyl)phenyl]propan-2-one is sourced from PubChem (CID 173349975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).