(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone

C18H18FNO3 — CID 11955557

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(F)cc3C2)c(O)cc1O
InChIInChI=1S/C18H18FNO3/c1-10(2)14-6-15(17(22)7-16(14)21)18(23)20-8-11-3-4-13(19)5-12(11)9-20/h3-7,10,21-22H,8-9H2,1-2H3
InChIKeyKPWQHNKPRDITRE-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.52
Rot. Bonds2

About (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 11955557) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone
PubChem CID11955557
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(F)cc3C2)c(O)cc1O
InChIInChI=1S/C18H18FNO3/c1-10(2)14-6-15(17(22)7-16(14)21)18(23)20-8-11-3-4-13(19)5-12(11)9-20/h3-7,10,21-22H,8-9H2,1-2H3
InChIKeyKPWQHNKPRDITRE-UHFFFAOYSA-N
XLogP3.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone (CID 11955557) is (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone is CC(C)c1cc(C(=O)N2Cc3ccc(F)cc3C2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is KPWQHNKPRDITRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-10(2)14-6-15(17(22)7-16(14)21)18(23)20-8-11-3-4-13(19)5-12(11)9-20/h3-7,10,21-22H,8-9H2,1-2H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 315.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 11955557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).