2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid

C11H11BrO2 — CID 97029289

IUPAC2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid
SMILESO=C(O)C[C@H]1Cc2cccc(Br)c2C1
InChIInChI=1S/C11H11BrO2/c12-10-3-1-2-8-4-7(5-9(8)10)6-11(13)14/h1-3,7H,4-6H2,(H,13,14)/t7-/m0/s1
InChIKeyHSYQFRSSVYDCLX-ZETCQYMHSA-N
MW255.11 g/mol
LogP2.64
Rot. Bonds2

About 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid

2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid (PubChem CID 97029289) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid
PubChem CID97029289
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid
SMILESO=C(O)C[C@H]1Cc2cccc(Br)c2C1
InChIInChI=1S/C11H11BrO2/c12-10-3-1-2-8-4-7(5-9(8)10)6-11(13)14/h1-3,7H,4-6H2,(H,13,14)/t7-/m0/s1
InChIKeyHSYQFRSSVYDCLX-ZETCQYMHSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid (CID 97029289) is 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid is O=C(O)C[C@H]1Cc2cccc(Br)c2C1.
What is the InChIKey of 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid?
The InChIKey is HSYQFRSSVYDCLX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-3-1-2-8-4-7(5-9(8)10)6-11(13)14/h1-3,7H,4-6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid?
2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid has a molecular weight of 255.11 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid is sourced from PubChem (CID 97029289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).