2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid

C23H26FNO3 — CID 134332552

IUPAC2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid
SMILESCc1c(-c2c(C)c3c(c(C)c2CC(=O)O)CN(C)C3)cc(F)c2c1CCCO2
InChIInChI=1S/C23H26FNO3/c1-12-15-6-5-7-28-23(15)20(24)8-16(12)22-14(3)19-11-25(4)10-18(19)13(2)17(22)9-21(26)27/h8H,5-7,9-11H2,1-4H3,(H,26,27)
InChIKeyRRZZITSDYOVMDO-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.32
Rot. Bonds3

About 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid

2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid (PubChem CID 134332552) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid
PubChem CID134332552
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid
SMILESCc1c(-c2c(C)c3c(c(C)c2CC(=O)O)CN(C)C3)cc(F)c2c1CCCO2
InChIInChI=1S/C23H26FNO3/c1-12-15-6-5-7-28-23(15)20(24)8-16(12)22-14(3)19-11-25(4)10-18(19)13(2)17(22)9-21(26)27/h8H,5-7,9-11H2,1-4H3,(H,26,27)
InChIKeyRRZZITSDYOVMDO-UHFFFAOYSA-N
XLogP4.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid?
The IUPAC name of 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid (CID 134332552) is 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid.
What is the SMILES notation for 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid?
The canonical SMILES for 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid is Cc1c(-c2c(C)c3c(c(C)c2CC(=O)O)CN(C)C3)cc(F)c2c1CCCO2.
What is the InChIKey of 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid?
The InChIKey is RRZZITSDYOVMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-12-15-6-5-7-28-23(15)20(24)8-16(12)22-14(3)19-11-25(4)10-18(19)13(2)17(22)9-21(26)27/h8H,5-7,9-11H2,1-4H3,(H,26,27).
What are the key properties of 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid?
2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid has a molecular weight of 383.46 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,4,7-trimethyl-1,3-dihydroisoindol-5-yl]acetic acid is sourced from PubChem (CID 134332552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).