methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

C28H25FO6 — CID 86722087

IUPACmethyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
SMILESCOC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc6c(c5)CCO6)ccc(F)c43)ccc21
InChIInChI=1S/C28H25FO6/c1-31-27(30)13-17-15-33-26-14-19(2-4-20(17)26)35-25-8-5-21-24(9-6-22(29)28(21)25)34-18-3-7-23-16(12-18)10-11-32-23/h2-4,6-7,9,12,14,17,25H,5,8,10-11,13,15H2,1H3/t17-,25-/m1/s1
InChIKeyFYPSANBBLPFRQC-CRICUBBOSA-N
MW476.50 g/mol
LogP5.66
Rot. Bonds6

About methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate (PubChem CID 86722087) has the molecular formula C28H25FO6 and a molecular weight of 476.50 g/mol. Its IUPAC name is methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
PubChem CID86722087
Molecular FormulaC28H25FO6
Molecular Weight476.50 g/mol
Exact Mass476.16
IUPAC Namemethyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
SMILESCOC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc6c(c5)CCO6)ccc(F)c43)ccc21
InChIInChI=1S/C28H25FO6/c1-31-27(30)13-17-15-33-26-14-19(2-4-20(17)26)35-25-8-5-21-24(9-6-22(29)28(21)25)34-18-3-7-23-16(12-18)10-11-32-23/h2-4,6-7,9,12,14,17,25H,5,8,10-11,13,15H2,1H3/t17-,25-/m1/s1
InChIKeyFYPSANBBLPFRQC-CRICUBBOSA-N
XLogP5.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((S)-6-((R)-7-Fluoro-4-(4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetic acid
CID 71738995
2-[6-[[3-(2,6-Dimethyl-4-phenylmethoxyphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111682
2-[6-[[3-(2,4-Dimethylphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111689
2-[6-[[3-(2,6-Dimethylphenyl)-4-methoxyphenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111693
2-[6-[[3-[4-(2-Ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111734
2-[6-[[3-(2,4,6-Trimethylphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111766
2-[6-[[3-(2,6-Dimethylphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111781
2-[(3S)-6-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 57414267
2-[(3R)-6-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 57414268
2-[6-[[3-[2,6-Dimethyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 57414401
2-[(3S)-6-[[3-[2,6-dimethyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 57414402
2-[(3R)-6-[[3-[2,6-dimethyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 57414403

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?
The IUPAC name of methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate (CID 86722087) is methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate is COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc6c(c5)CCO6)ccc(F)c43)ccc21.
What is the InChIKey of methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?
The InChIKey is FYPSANBBLPFRQC-CRICUBBOSA-N. The full InChI is InChI=1S/C28H25FO6/c1-31-27(30)13-17-15-33-26-14-19(2-4-20(17)26)35-25-8-5-21-24(9-6-22(29)28(21)25)34-18-3-7-23-16(12-18)10-11-32-23/h2-4,6-7,9,12,14,17,25H,5,8,10-11,13,15H2,1H3/t17-,25-/m1/s1.
What are the key properties of methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate?
methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate has a molecular weight of 476.50 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-6-[[(1R)-4-(2,3-dihydro-1-benzofuran-5-yloxy)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate is sourced from PubChem (CID 86722087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).