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

C19H21NO3 — CID 24891132

IUPAC(5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
InChIInChI=1S/C19H21NO3/c1-3-12(2)15-8-16(18(22)9-17(15)21)19(23)20-10-13-6-4-5-7-14(13)11-20/h4-9,12,21-22H,3,10-11H2,1-2H3
InChIKeyJUVRJNYFHAUUEF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.77
Rot. Bonds3

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

(5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 24891132) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID24891132
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
InChIInChI=1S/C19H21NO3/c1-3-12(2)15-8-16(18(22)9-17(15)21)19(23)20-10-13-6-4-5-7-14(13)11-20/h4-9,12,21-22H,3,10-11H2,1-2H3
InChIKeyJUVRJNYFHAUUEF-UHFFFAOYSA-N
XLogP3.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 24891132) is (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is CCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O.
What is the InChIKey of (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is JUVRJNYFHAUUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-12(2)15-8-16(18(22)9-17(15)21)19(23)20-10-13-6-4-5-7-14(13)11-20/h4-9,12,21-22H,3,10-11H2,1-2H3.
What are the key properties of (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
(5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-yl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 24891132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).