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

C18H17NO3 — CID 24891131

IUPAC(5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cc(C2CC2)c(O)cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C18H17NO3/c20-16-8-17(21)15(7-14(16)11-5-6-11)18(22)19-9-12-3-1-2-4-13(12)10-19/h1-4,7-8,11,20-21H,5-6,9-10H2
InChIKeyOHYDZLGYBUJAFY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.13
Rot. Bonds2

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

(5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 24891131) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID24891131
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cc(C2CC2)c(O)cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C18H17NO3/c20-16-8-17(21)15(7-14(16)11-5-6-11)18(22)19-9-12-3-1-2-4-13(12)10-19/h1-4,7-8,11,20-21H,5-6,9-10H2
InChIKeyOHYDZLGYBUJAFY-UHFFFAOYSA-N
XLogP3.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 24891131) is (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1cc(C2CC2)c(O)cc1O)N1Cc2ccccc2C1.
What is the InChIKey of (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is OHYDZLGYBUJAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-16-8-17(21)15(7-14(16)11-5-6-11)18(22)19-9-12-3-1-2-4-13(12)10-19/h1-4,7-8,11,20-21H,5-6,9-10H2.
What are the key properties of (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone?
(5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 295.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-2,4-dihydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 24891131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).