1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone

C17H17NO3 — CID 11955467

IUPAC1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone
SMILESCCc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
InChIInChI=1S/C17H17NO3/c1-2-11-7-14(16(20)8-15(11)19)17(21)18-9-12-5-3-4-6-13(12)10-18/h3-8,19-20H,2,9-10H2,1H3
InChIKeyLWKQBIRSZKDRSA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.82
Rot. Bonds2

About 1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone

1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone (PubChem CID 11955467) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone
PubChem CID11955467
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone
SMILESCCc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
InChIInChI=1S/C17H17NO3/c1-2-11-7-14(16(20)8-15(11)19)17(21)18-9-12-5-3-4-6-13(12)10-18/h3-8,19-20H,2,9-10H2,1H3
InChIKeyLWKQBIRSZKDRSA-UHFFFAOYSA-N
XLogP2.82
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.82
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-(5-ethyl-2,4-dihydroxyphenyl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone (CID 11955467) is 1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone is CCc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone?
The InChIKey is LWKQBIRSZKDRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-11-7-14(16(20)8-15(11)19)17(21)18-9-12-5-3-4-6-13(12)10-18/h3-8,19-20H,2,9-10H2,1H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone?
1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone has a molecular weight of 283.33 g/mol, XLogP of 2.82, 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-(5-ethyl-2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 11955467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).