acetic acid;3H-inden-1-ylmethanol

C12H14O3 — CID 71363289

IUPACacetic acid;3H-inden-1-ylmethanol
SMILESCC(=O)O.OCC1=CCc2ccccc21
InChIInChI=1S/C10H10O.C2H4O2/c11-7-9-6-5-8-3-1-2-4-10(8)9;1-2(3)4/h1-4,6,11H,5,7H2;1H3,(H,3,4)
InChIKeyQYWMXXAXSHBQEX-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.71
Rot. Bonds1

About acetic acid;3H-inden-1-ylmethanol

acetic acid;3H-inden-1-ylmethanol (PubChem CID 71363289) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is acetic acid;3H-inden-1-ylmethanol.

Molecular Properties

Compound Nameacetic acid;3H-inden-1-ylmethanol
PubChem CID71363289
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameacetic acid;3H-inden-1-ylmethanol
SMILESCC(=O)O.OCC1=CCc2ccccc21
InChIInChI=1S/C10H10O.C2H4O2/c11-7-9-6-5-8-3-1-2-4-10(8)9;1-2(3)4/h1-4,6,11H,5,7H2;1H3,(H,3,4)
InChIKeyQYWMXXAXSHBQEX-UHFFFAOYSA-N
XLogP1.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3H-inden-1-ylmethanol?
The IUPAC name of acetic acid;3H-inden-1-ylmethanol (CID 71363289) is acetic acid;3H-inden-1-ylmethanol.
What is the SMILES notation for acetic acid;3H-inden-1-ylmethanol?
The canonical SMILES for acetic acid;3H-inden-1-ylmethanol is CC(=O)O.OCC1=CCc2ccccc21.
What is the InChIKey of acetic acid;3H-inden-1-ylmethanol?
The InChIKey is QYWMXXAXSHBQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.C2H4O2/c11-7-9-6-5-8-3-1-2-4-10(8)9;1-2(3)4/h1-4,6,11H,5,7H2;1H3,(H,3,4).
What are the key properties of acetic acid;3H-inden-1-ylmethanol?
acetic acid;3H-inden-1-ylmethanol has a molecular weight of 206.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3H-inden-1-ylmethanol is sourced from PubChem (CID 71363289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).