6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one

C16H13FO2 — CID 169409888

IUPAC6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(F)c(-c2ccc3c(c2)C(=O)CC3)c1
InChIInChI=1S/C16H13FO2/c1-19-12-5-6-15(17)13(9-12)11-3-2-10-4-7-16(18)14(10)8-11/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyOAJUBYNQZGXKAM-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.63
Rot. Bonds2

About 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one

6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 169409888) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID169409888
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(F)c(-c2ccc3c(c2)C(=O)CC3)c1
InChIInChI=1S/C16H13FO2/c1-19-12-5-6-15(17)13(9-12)11-3-2-10-4-7-16(18)14(10)8-11/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyOAJUBYNQZGXKAM-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one (CID 169409888) is 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one is COc1ccc(F)c(-c2ccc3c(c2)C(=O)CC3)c1.
What is the InChIKey of 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is OAJUBYNQZGXKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-19-12-5-6-15(17)13(9-12)11-3-2-10-4-7-16(18)14(10)8-11/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one?
6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 256.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 169409888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).