(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone

C24H30N2O4 — CID 11955673

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(C4(O)CCN(C)CC4)cc3C2)c(O)cc1O
InChIInChI=1S/C24H30N2O4/c1-15(2)19-11-20(22(28)12-21(19)27)23(29)26-13-16-4-5-18(10-17(16)14-26)24(30)6-8-25(3)9-7-24/h4-5,10-12,15,27-28,30H,6-9,13-14H2,1-3H3
InChIKeyJVQQVJXMYAIHFT-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.29
Rot. Bonds3

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

(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone (PubChem CID 11955673) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone
PubChem CID11955673
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(C4(O)CCN(C)CC4)cc3C2)c(O)cc1O
InChIInChI=1S/C24H30N2O4/c1-15(2)19-11-20(22(28)12-21(19)27)23(29)26-13-16-4-5-18(10-17(16)14-26)24(30)6-8-25(3)9-7-24/h4-5,10-12,15,27-28,30H,6-9,13-14H2,1-3H3
InChIKeyJVQQVJXMYAIHFT-UHFFFAOYSA-N
XLogP3.29
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone (CID 11955673) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone is CC(C)c1cc(C(=O)N2Cc3ccc(C4(O)CCN(C)CC4)cc3C2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone?
The InChIKey is JVQQVJXMYAIHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-15(2)19-11-20(22(28)12-21(19)27)23(29)26-13-16-4-5-18(10-17(16)14-26)24(30)6-8-25(3)9-7-24/h4-5,10-12,15,27-28,30H,6-9,13-14H2,1-3H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone has a molecular weight of 410.51 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone is sourced from PubChem (CID 11955673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).