3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid

C15H17BrO2 — CID 117493974

IUPAC3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1cc(Br)c2c(c1)CCC2)C1CC1
InChIInChI=1S/C15H17BrO2/c16-14-7-11(6-10-2-1-3-12(10)14)13(8-15(17)18)9-4-5-9/h6-7,9,13H,1-5,8H2,(H,17,18)
InChIKeyWJXUWZXTOKVVED-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.91
Rot. Bonds4

About 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid

3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid (PubChem CID 117493974) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid
PubChem CID117493974
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1cc(Br)c2c(c1)CCC2)C1CC1
InChIInChI=1S/C15H17BrO2/c16-14-7-11(6-10-2-1-3-12(10)14)13(8-15(17)18)9-4-5-9/h6-7,9,13H,1-5,8H2,(H,17,18)
InChIKeyWJXUWZXTOKVVED-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(7-bromo-2,3-dihydro-1H-inden-5-yl)acetic acid
CID 84712529
3-(4-bromo-3,5-difluorophenyl)-3-cyclopropylpropanoic acid
CID 117490252
2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117454978
3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117389808
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84702409
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84708520
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117431438
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid (CID 117493974) is 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid is O=C(O)CC(c1cc(Br)c2c(c1)CCC2)C1CC1.
What is the InChIKey of 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid?
The InChIKey is WJXUWZXTOKVVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c16-14-7-11(6-10-2-1-3-12(10)14)13(8-15(17)18)9-4-5-9/h6-7,9,13H,1-5,8H2,(H,17,18).
What are the key properties of 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid?
3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid has a molecular weight of 309.20 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-2,3-dihydro-1H-inden-5-yl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117493974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).