3-(3-hydroxy-3H-inden-1-yl)propanoic acid

C12H12O3 — CID 67403380

IUPAC3-(3-hydroxy-3H-inden-1-yl)propanoic acid
SMILESO=C(O)CCC1=CC(O)c2ccccc21
InChIInChI=1S/C12H12O3/c13-11-7-8(5-6-12(14)15)9-3-1-2-4-10(9)11/h1-4,7,11,13H,5-6H2,(H,14,15)
InChIKeyZCBFZHVOTLTYNQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.98
Rot. Bonds3

About 3-(3-hydroxy-3H-inden-1-yl)propanoic acid

3-(3-hydroxy-3H-inden-1-yl)propanoic acid (PubChem CID 67403380) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-(3-hydroxy-3H-inden-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-3H-inden-1-yl)propanoic acid
PubChem CID67403380
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name3-(3-hydroxy-3H-inden-1-yl)propanoic acid
SMILESO=C(O)CCC1=CC(O)c2ccccc21
InChIInChI=1S/C12H12O3/c13-11-7-8(5-6-12(14)15)9-3-1-2-4-10(9)11/h1-4,7,11,13H,5-6H2,(H,14,15)
InChIKeyZCBFZHVOTLTYNQ-UHFFFAOYSA-N
XLogP1.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(3-hydroxy-3H-inden-1-yl)-2-methylbut-2-enoic acid
CID 66744779
1-(3-hydroxy-3H-inden-1-yl)hexan-1-one
CID 118352509
3-(9-amino-9H-fluoren-2-yl)propanoic acid
CID 23227315
lanthanum;3-phenylpropanoic acid
CID 174887955
4-(9H-fluoren-9-ylamino)butanoic acid
CID 60782933
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-[4-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
CID 17341627
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
3-(9H-fluoren-9-yl)-3-oxopropanoic acid
CID 13146062
3-(14-hydroxy-3,10,21-trioxo-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),4(9),5,7,15,17,19-octaen-6-yl)propanoic acid
CID 123154805
3-[4-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 84698426
3-[6-(trifluoromethyl)-6H-benzo[c]chromen-1-yl]propanoic acid
CID 150831778

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3H-inden-1-yl)propanoic acid?
The IUPAC name of 3-(3-hydroxy-3H-inden-1-yl)propanoic acid (CID 67403380) is 3-(3-hydroxy-3H-inden-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxy-3H-inden-1-yl)propanoic acid?
The canonical SMILES for 3-(3-hydroxy-3H-inden-1-yl)propanoic acid is O=C(O)CCC1=CC(O)c2ccccc21.
What is the InChIKey of 3-(3-hydroxy-3H-inden-1-yl)propanoic acid?
The InChIKey is ZCBFZHVOTLTYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-7-8(5-6-12(14)15)9-3-1-2-4-10(9)11/h1-4,7,11,13H,5-6H2,(H,14,15).
What are the key properties of 3-(3-hydroxy-3H-inden-1-yl)propanoic acid?
3-(3-hydroxy-3H-inden-1-yl)propanoic acid has a molecular weight of 204.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3H-inden-1-yl)propanoic acid is sourced from PubChem (CID 67403380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).