(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one

C16H14FNO2 — CID 139196663

IUPAC(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one
SMILESCN1C(=O)c2ccccc2[C@]1(O)Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-18-15(19)13-4-2-3-5-14(13)16(18,20)10-11-6-8-12(17)9-7-11/h2-9,20H,10H2,1H3/t16-/m1/s1
InChIKeyLARMIXJQFIXUTN-MRXNPFEDSA-N
MW271.29 g/mol
LogP2.30
Rot. Bonds2

About (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one

(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one (PubChem CID 139196663) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one
PubChem CID139196663
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one
SMILESCN1C(=O)c2ccccc2[C@]1(O)Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-18-15(19)13-4-2-3-5-14(13)16(18,20)10-11-6-8-12(17)9-7-11/h2-9,20H,10H2,1H3/t16-/m1/s1
InChIKeyLARMIXJQFIXUTN-MRXNPFEDSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one (CID 139196663) is (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one is CN1C(=O)c2ccccc2[C@]1(O)Cc1ccc(F)cc1.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one?
The InChIKey is LARMIXJQFIXUTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-18-15(19)13-4-2-3-5-14(13)16(18,20)10-11-6-8-12(17)9-7-11/h2-9,20H,10H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one?
(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one has a molecular weight of 271.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one is sourced from PubChem (CID 139196663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).