2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one

C26H32O2 — CID 15724698

IUPAC2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one
SMILESCC(C)C(=O)c1ccc(C2(C)CC(C)(C)c3cc(C(=O)C(C)C)ccc32)cc1
InChIInChI=1S/C26H32O2/c1-16(2)23(27)18-8-11-20(12-9-18)26(7)15-25(5,6)22-14-19(10-13-21(22)26)24(28)17(3)4/h8-14,16-17H,15H2,1-7H3
InChIKeyAVGNRXDPYQPFIQ-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.35
Rot. Bonds5

About 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one

2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one (PubChem CID 15724698) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one
PubChem CID15724698
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Name2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one
SMILESCC(C)C(=O)c1ccc(C2(C)CC(C)(C)c3cc(C(=O)C(C)C)ccc32)cc1
InChIInChI=1S/C26H32O2/c1-16(2)23(27)18-8-11-20(12-9-18)26(7)15-25(5,6)22-14-19(10-13-21(22)26)24(28)17(3)4/h8-14,16-17H,15H2,1-7H3
InChIKeyAVGNRXDPYQPFIQ-UHFFFAOYSA-N
XLogP6.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one (CID 15724698) is 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one is CC(C)C(=O)c1ccc(C2(C)CC(C)(C)c3cc(C(=O)C(C)C)ccc32)cc1.
What is the InChIKey of 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one?
The InChIKey is AVGNRXDPYQPFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2/c1-16(2)23(27)18-8-11-20(12-9-18)26(7)15-25(5,6)22-14-19(10-13-21(22)26)24(28)17(3)4/h8-14,16-17H,15H2,1-7H3.
What are the key properties of 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one?
2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one has a molecular weight of 376.54 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[1,3,3-trimethyl-5-(2-methylpropanoyl)-2H-inden-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 15724698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).