3-(4-ethylphenyl)-3-methyl-2H-inden-1-one

C18H18O — CID 132519091

IUPAC3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
SMILESCCc1ccc(C2(C)CC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H18O/c1-3-13-8-10-14(11-9-13)18(2)12-17(19)15-6-4-5-7-16(15)18/h4-11H,3,12H2,1-2H3
InChIKeySMWXIXGOPXCSEP-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.14
Rot. Bonds2

About 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one

3-(4-ethylphenyl)-3-methyl-2H-inden-1-one (PubChem CID 132519091) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
PubChem CID132519091
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
SMILESCCc1ccc(C2(C)CC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H18O/c1-3-13-8-10-14(11-9-13)18(2)12-17(19)15-6-4-5-7-16(15)18/h4-11H,3,12H2,1-2H3
InChIKeySMWXIXGOPXCSEP-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
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4-(4-ethylphenyl)-4-methylpyrrolidin-2-one
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3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
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(3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one?
The IUPAC name of 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one (CID 132519091) is 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one is CCc1ccc(C2(C)CC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one?
The InChIKey is SMWXIXGOPXCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-3-13-8-10-14(11-9-13)18(2)12-17(19)15-6-4-5-7-16(15)18/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one?
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-3-methyl-2H-inden-1-one is sourced from PubChem (CID 132519091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).