2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one

C16H14FNO2 — CID 71032376

IUPAC2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one
SMILESCc1c(O)ccc2c1C(=O)N(Cc1ccccc1F)C2
InChIInChI=1S/C16H14FNO2/c1-10-14(19)7-6-12-9-18(16(20)15(10)12)8-11-4-2-3-5-13(11)17/h2-7,19H,8-9H2,1H3
InChIKeyBTHZPYASIWQRJT-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.00
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one

2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one (PubChem CID 71032376) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one
PubChem CID71032376
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one
SMILESCc1c(O)ccc2c1C(=O)N(Cc1ccccc1F)C2
InChIInChI=1S/C16H14FNO2/c1-10-14(19)7-6-12-9-18(16(20)15(10)12)8-11-4-2-3-5-13(11)17/h2-7,19H,8-9H2,1H3
InChIKeyBTHZPYASIWQRJT-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one (CID 71032376) is 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one is Cc1c(O)ccc2c1C(=O)N(Cc1ccccc1F)C2.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one?
The InChIKey is BTHZPYASIWQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10-14(19)7-6-12-9-18(16(20)15(10)12)8-11-4-2-3-5-13(11)17/h2-7,19H,8-9H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one?
2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one has a molecular weight of 271.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-hydroxy-7-methyl-3H-isoindol-1-one is sourced from PubChem (CID 71032376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).