6-phenyl-2,3-dihydroisoindol-1-one

C14H11NO — CID 19078761

IUPAC6-phenyl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C14H11NO/c16-14-13-8-11(6-7-12(13)9-15-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)
InChIKeyQTENOXFSNBDPMO-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.60
Rot. Bonds1

About 6-phenyl-2,3-dihydroisoindol-1-one

6-phenyl-2,3-dihydroisoindol-1-one (PubChem CID 19078761) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-phenyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-phenyl-2,3-dihydroisoindol-1-one
PubChem CID19078761
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name6-phenyl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C14H11NO/c16-14-13-8-11(6-7-12(13)9-15-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)
InChIKeyQTENOXFSNBDPMO-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-phenyl-2,3-dihydroisoindol-1-one (CID 19078761) is 6-phenyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-phenyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-phenyl-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 6-phenyl-2,3-dihydroisoindol-1-one?
The InChIKey is QTENOXFSNBDPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-14-13-8-11(6-7-12(13)9-15-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16).
What are the key properties of 6-phenyl-2,3-dihydroisoindol-1-one?
6-phenyl-2,3-dihydroisoindol-1-one has a molecular weight of 209.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 19078761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).