5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one

C16H12ClFO2 — CID 107684090

IUPAC5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OCc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C16H12ClFO2/c17-15-8-12(18)3-1-11(15)9-20-13-4-5-14-10(7-13)2-6-16(14)19/h1,3-5,7-8H,2,6,9H2
InChIKeyCLWXARPPDITJDZ-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.19
Rot. Bonds3

About 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one

5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 107684090) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
PubChem CID107684090
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OCc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C16H12ClFO2/c17-15-8-12(18)3-1-11(15)9-20-13-4-5-14-10(7-13)2-6-16(14)19/h1,3-5,7-8H,2,6,9H2
InChIKeyCLWXARPPDITJDZ-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one (CID 107684090) is 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one is O=C1CCc2cc(OCc3ccc(F)cc3Cl)ccc21.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is CLWXARPPDITJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO2/c17-15-8-12(18)3-1-11(15)9-20-13-4-5-14-10(7-13)2-6-16(14)19/h1,3-5,7-8H,2,6,9H2.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one?
5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 290.72 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 107684090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).