7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol

C10H12O2 — CID 15329434

IUPAC7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
SMILESOCc1cccc2c1C(O)CC2
InChIInChI=1S/C10H12O2/c11-6-8-3-1-2-7-4-5-9(12)10(7)8/h1-3,9,11-12H,4-6H2
InChIKeyLZIPNGNVVVHQCU-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.16
Rot. Bonds1

About 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol

7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 15329434) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID15329434
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
SMILESOCc1cccc2c1C(O)CC2
InChIInChI=1S/C10H12O2/c11-6-8-3-1-2-7-4-5-9(12)10(7)8/h1-3,9,11-12H,4-6H2
InChIKeyLZIPNGNVVVHQCU-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol (CID 15329434) is 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol is OCc1cccc2c1C(O)CC2.
What is the InChIKey of 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LZIPNGNVVVHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-6-8-3-1-2-7-4-5-9(12)10(7)8/h1-3,9,11-12H,4-6H2.
What are the key properties of 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol?
7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 164.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 15329434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).