2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid

C19H16BrFO3 — CID 72699703

IUPAC2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(O[C@@H]2CCc3c(Br)ccc(F)c32)cc1
InChIInChI=1S/C19H16BrFO3/c20-15-6-7-16(21)18-12(15)5-8-17(18)24-11-3-1-10(2-4-11)13-9-14(13)19(22)23/h1-4,6-7,13-14,17H,5,8-9H2,(H,22,23)/t13?,14?,17-/m1/s1
InChIKeyGJFALUNHMYSICL-MQBCKMQZSA-N
MW391.24 g/mol
LogP4.84
Rot. Bonds4

About 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid

2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 72699703) has the molecular formula C19H16BrFO3 and a molecular weight of 391.24 g/mol. Its IUPAC name is 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
PubChem CID72699703
Molecular FormulaC19H16BrFO3
Molecular Weight391.24 g/mol
Exact Mass390.03
IUPAC Name2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(O[C@@H]2CCc3c(Br)ccc(F)c32)cc1
InChIInChI=1S/C19H16BrFO3/c20-15-6-7-16(21)18-12(15)5-8-17(18)24-11-3-1-10(2-4-11)13-9-14(13)19(22)23/h1-4,6-7,13-14,17H,5,8-9H2,(H,22,23)/t13?,14?,17-/m1/s1
InChIKeyGJFALUNHMYSICL-MQBCKMQZSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

4-[4-Bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492661
(3S)-3-[4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]hex-4-ynoic acid
CID 16661492
3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid
CID 23136387
3-[4-[(2,2-Dimethyl-1,3-dihydroinden-1-yl)oxy]-3-fluorophenyl]propanoic acid
CID 23136455
3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid
CID 23136523
2-[(1S)-5-[2-bromo-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985039
2-[2-Bromo-4-[2-(4-fluorophenoxy)propoxy]phenyl]propanoic acid
CID 53737408
3-[4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanoic acid
CID 57541947
3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-(4-fluorophenyl)propanoic acid
CID 57835767
3-(2,5-difluorophenyl)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]propanoic acid
CID 57835783
3-[4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-3-(4-fluorophenyl)propanoic acid
CID 57835824
3-(2,4-difluorophenyl)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]propanoic acid
CID 57835848

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid (CID 72699703) is 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(O[C@@H]2CCc3c(Br)ccc(F)c32)cc1.
What is the InChIKey of 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is GJFALUNHMYSICL-MQBCKMQZSA-N. The full InChI is InChI=1S/C19H16BrFO3/c20-15-6-7-16(21)18-12(15)5-8-17(18)24-11-3-1-10(2-4-11)13-9-14(13)19(22)23/h1-4,6-7,13-14,17H,5,8-9H2,(H,22,23)/t13?,14?,17-/m1/s1.
What are the key properties of 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid?
2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 391.24 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 72699703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).