(4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

C18H17F2NO3 — CID 11955556

IUPAC(4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3c(F)ccc(F)c3C2)c(O)cc1O
InChIInChI=1S/C18H17F2NO3/c1-9(2)10-5-11(17(23)6-16(10)22)18(24)21-7-12-13(8-21)15(20)4-3-14(12)19/h3-6,9,22-23H,7-8H2,1-2H3
InChIKeyDOBRSHLMCIYEEI-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.66
Rot. Bonds2

About (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone

(4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (PubChem CID 11955556) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
PubChem CID11955556
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name(4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3c(F)ccc(F)c3C2)c(O)cc1O
InChIInChI=1S/C18H17F2NO3/c1-9(2)10-5-11(17(23)6-16(10)22)18(24)21-7-12-13(8-21)15(20)4-3-14(12)19/h3-6,9,22-23H,7-8H2,1-2H3
InChIKeyDOBRSHLMCIYEEI-UHFFFAOYSA-N
XLogP3.66
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The IUPAC name of (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone (CID 11955556) is (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is CC(C)c1cc(C(=O)N2Cc3c(F)ccc(F)c3C2)c(O)cc1O.
What is the InChIKey of (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
The InChIKey is DOBRSHLMCIYEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-9(2)10-5-11(17(23)6-16(10)22)18(24)21-7-12-13(8-21)15(20)4-3-14(12)19/h3-6,9,22-23H,7-8H2,1-2H3.
What are the key properties of (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone?
(4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone has a molecular weight of 333.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-difluoro-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 11955556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).