2,3-dihydroinden-1-ylidenemethanediol

C10H10O2 — CID 14337503

IUPAC2,3-dihydroinden-1-ylidenemethanediol
SMILESOC(O)=C1CCc2ccccc21
InChIInChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,11-12H,5-6H2
InChIKeyNUEFDZGRDGTWGK-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.42
Rot. Bonds

About 2,3-dihydroinden-1-ylidenemethanediol

2,3-dihydroinden-1-ylidenemethanediol (PubChem CID 14337503) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,3-dihydroinden-1-ylidenemethanediol.

Molecular Properties

Compound Name2,3-dihydroinden-1-ylidenemethanediol
PubChem CID14337503
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2,3-dihydroinden-1-ylidenemethanediol
SMILESOC(O)=C1CCc2ccccc21
InChIInChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,11-12H,5-6H2
InChIKeyNUEFDZGRDGTWGK-UHFFFAOYSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroinden-1-ylidenemethanediol?
The IUPAC name of 2,3-dihydroinden-1-ylidenemethanediol (CID 14337503) is 2,3-dihydroinden-1-ylidenemethanediol.
What is the SMILES notation for 2,3-dihydroinden-1-ylidenemethanediol?
The canonical SMILES for 2,3-dihydroinden-1-ylidenemethanediol is OC(O)=C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroinden-1-ylidenemethanediol?
The InChIKey is NUEFDZGRDGTWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,11-12H,5-6H2.
What are the key properties of 2,3-dihydroinden-1-ylidenemethanediol?
2,3-dihydroinden-1-ylidenemethanediol has a molecular weight of 162.19 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroinden-1-ylidenemethanediol is sourced from PubChem (CID 14337503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).