1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone

C18H19NO2 — CID 11955466

IUPAC1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O
InChIInChI=1S/C18H19NO2/c1-12(2)16-9-13(7-8-17(16)20)18(21)19-10-14-5-3-4-6-15(14)11-19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyMEPNUQXOYQXDBH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.67
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone

1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone (PubChem CID 11955466) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
PubChem CID11955466
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O
InChIInChI=1S/C18H19NO2/c1-12(2)16-9-13(7-8-17(16)20)18(21)19-10-14-5-3-4-6-15(14)11-19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyMEPNUQXOYQXDBH-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone (CID 11955466) is 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone is CC(C)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone?
The InChIKey is MEPNUQXOYQXDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12(2)16-9-13(7-8-17(16)20)18(21)19-10-14-5-3-4-6-15(14)11-19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone?
1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 11955466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).