2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one

C18H18O — CID 15544001

IUPAC2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
SMILESCCc1ccc(CC2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C18H18O/c1-2-13-7-9-14(10-8-13)11-16-12-15-5-3-4-6-17(15)18(16)19/h3-10,16H,2,11-12H2,1H3
InChIKeyFCGWNDIPAHWQNW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.85
Rot. Bonds3

About 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one

2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one (PubChem CID 15544001) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
PubChem CID15544001
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
SMILESCCc1ccc(CC2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C18H18O/c1-2-13-7-9-14(10-8-13)11-16-12-15-5-3-4-6-17(15)18(16)19/h3-10,16H,2,11-12H2,1H3
InChIKeyFCGWNDIPAHWQNW-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one (CID 15544001) is 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one is CCc1ccc(CC2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is FCGWNDIPAHWQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-13-7-9-14(10-8-13)11-16-12-15-5-3-4-6-17(15)18(16)19/h3-10,16H,2,11-12H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one?
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 15544001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).