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

C19H21NO3 — CID 11955553

IUPAC(5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
InChIInChI=1S/C19H21NO3/c1-19(2,3)15-8-14(16(21)9-17(15)22)18(23)20-10-12-6-4-5-7-13(12)11-20/h4-9,21-22H,10-11H2,1-3H3
InChIKeyFUNJEJVGXFUOOI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.55
Rot. Bonds1

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

(5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 11955553) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID11955553
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
InChIInChI=1S/C19H21NO3/c1-19(2,3)15-8-14(16(21)9-17(15)22)18(23)20-10-12-6-4-5-7-13(12)11-20/h4-9,21-22H,10-11H2,1-3H3
InChIKeyFUNJEJVGXFUOOI-UHFFFAOYSA-N
XLogP3.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 11955553) is (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is CC(C)(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O.
What is the InChIKey of (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is FUNJEJVGXFUOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,3)15-8-14(16(21)9-17(15)22)18(23)20-10-12-6-4-5-7-13(12)11-20/h4-9,21-22H,10-11H2,1-3H3.
What are the key properties of (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
(5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 11955553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).