(2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone

C18H17NO3 — CID 46840157

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone
SMILESCC(C)c1cc(C(=O)n2cc3ccccc3c2)c(O)cc1O
InChIInChI=1S/C18H17NO3/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/h3-11,20-21H,1-2H3
InChIKeySHHPCFWJUUNNBB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.86
Rot. Bonds2

About (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone (PubChem CID 46840157) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone
PubChem CID46840157
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone
SMILESCC(C)c1cc(C(=O)n2cc3ccccc3c2)c(O)cc1O
InChIInChI=1S/C18H17NO3/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/h3-11,20-21H,1-2H3
InChIKeySHHPCFWJUUNNBB-UHFFFAOYSA-N
XLogP3.86
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone (CID 46840157) is (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone is CC(C)c1cc(C(=O)n2cc3ccccc3c2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone?
The InChIKey is SHHPCFWJUUNNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/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/h3-11,20-21H,1-2H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone has a molecular weight of 295.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-isoindol-2-ylmethanone is sourced from PubChem (CID 46840157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).