(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone

C19H20FNO2 — CID 135228464

IUPAC(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone
SMILESCc1cc(C(C)C)cc(C(=O)N2Cc3ccc(F)cc3C2)c1O
InChIInChI=1S/C19H20FNO2/c1-11(2)14-6-12(3)18(22)17(8-14)19(23)21-9-13-4-5-16(20)7-15(13)10-21/h4-8,11,22H,9-10H2,1-3H3
InChIKeyZKXLZXRAVUHQSJ-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.12
Rot. Bonds2

About (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone

(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone (PubChem CID 135228464) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone
PubChem CID135228464
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone
SMILESCc1cc(C(C)C)cc(C(=O)N2Cc3ccc(F)cc3C2)c1O
InChIInChI=1S/C19H20FNO2/c1-11(2)14-6-12(3)18(22)17(8-14)19(23)21-9-13-4-5-16(20)7-15(13)10-21/h4-8,11,22H,9-10H2,1-3H3
InChIKeyZKXLZXRAVUHQSJ-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone?
The IUPAC name of (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone (CID 135228464) is (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone is Cc1cc(C(C)C)cc(C(=O)N2Cc3ccc(F)cc3C2)c1O.
What is the InChIKey of (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone?
The InChIKey is ZKXLZXRAVUHQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-11(2)14-6-12(3)18(22)17(8-14)19(23)21-9-13-4-5-16(20)7-15(13)10-21/h4-8,11,22H,9-10H2,1-3H3.
What are the key properties of (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone?
(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone has a molecular weight of 313.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 135228464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).