2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid

C11H12O3 — CID 12502349

IUPAC2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2ccccc2C1O
InChIInChI=1S/C11H12O3/c12-10(13)6-8-5-7-3-1-2-4-9(7)11(8)14/h1-4,8,11,14H,5-6H2,(H,12,13)
InChIKeyYGRMFAVGMGZPOI-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.37
Rot. Bonds2

About 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid

2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid (PubChem CID 12502349) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid
PubChem CID12502349
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2ccccc2C1O
InChIInChI=1S/C11H12O3/c12-10(13)6-8-5-7-3-1-2-4-9(7)11(8)14/h1-4,8,11,14H,5-6H2,(H,12,13)
InChIKeyYGRMFAVGMGZPOI-UHFFFAOYSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid?
The IUPAC name of 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid (CID 12502349) is 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid.
What is the SMILES notation for 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid?
The canonical SMILES for 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid is O=C(O)CC1Cc2ccccc2C1O.
What is the InChIKey of 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid?
The InChIKey is YGRMFAVGMGZPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-10(13)6-8-5-7-3-1-2-4-9(7)11(8)14/h1-4,8,11,14H,5-6H2,(H,12,13).
What are the key properties of 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid?
2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid has a molecular weight of 192.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)acetic acid is sourced from PubChem (CID 12502349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).