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

C18H18O2 — CID 63090320

IUPAC4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
SMILESCCc1ccc(COc2cccc3c2CCC3=O)cc1
InChIInChI=1S/C18H18O2/c1-2-13-6-8-14(9-7-13)12-20-18-5-3-4-15-16(18)10-11-17(15)19/h3-9H,2,10-12H2,1H3
InChIKeyRJOJMZAHSXLCKB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.96
Rot. Bonds4

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

4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 63090320) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
PubChem CID63090320
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
SMILESCCc1ccc(COc2cccc3c2CCC3=O)cc1
InChIInChI=1S/C18H18O2/c1-2-13-6-8-14(9-7-13)12-20-18-5-3-4-15-16(18)10-11-17(15)19/h3-9H,2,10-12H2,1H3
InChIKeyRJOJMZAHSXLCKB-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one (CID 63090320) is 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one is CCc1ccc(COc2cccc3c2CCC3=O)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is RJOJMZAHSXLCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-13-6-8-14(9-7-13)12-20-18-5-3-4-15-16(18)10-11-17(15)19/h3-9H,2,10-12H2,1H3.
What are the key properties of 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one?
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 63090320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).