6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one

C19H20O2 — CID 154192333

IUPAC6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one
SMILESCCc1ccc(COc2ccc3c(c2)C(=O)C(C)C3)cc1
InChIInChI=1S/C19H20O2/c1-3-14-4-6-15(7-5-14)12-21-17-9-8-16-10-13(2)19(20)18(16)11-17/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyAIVWLJUKKCKNDL-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.20
Rot. Bonds4

About 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one

6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one (PubChem CID 154192333) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one
PubChem CID154192333
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one
SMILESCCc1ccc(COc2ccc3c(c2)C(=O)C(C)C3)cc1
InChIInChI=1S/C19H20O2/c1-3-14-4-6-15(7-5-14)12-21-17-9-8-16-10-13(2)19(20)18(16)11-17/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyAIVWLJUKKCKNDL-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one (CID 154192333) is 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one is CCc1ccc(COc2ccc3c(c2)C(=O)C(C)C3)cc1.
What is the InChIKey of 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is AIVWLJUKKCKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-14-4-6-15(7-5-14)12-21-17-9-8-16-10-13(2)19(20)18(16)11-17/h4-9,11,13H,3,10,12H2,1-2H3.
What are the key properties of 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one?
6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 154192333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).