1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

C18H19NO3 — CID 11849171

IUPAC1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
InChIInChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3
InChIKeyDPKGPEGXWFTAIR-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.38
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 11849171) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID11849171
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
InChIInChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3
InChIKeyDPKGPEGXWFTAIR-UHFFFAOYSA-N
XLogP3.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 11849171) is 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is DPKGPEGXWFTAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 297.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 11849171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).