1-ethynyl-2,3-dihydroinden-1-ol

C11H10O — CID 15647834

IUPAC1-ethynyl-2,3-dihydroinden-1-ol
SMILESC#CC1(O)CCc2ccccc21
InChIInChI=1S/C11H10O/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h1,3-6,12H,7-8H2
InChIKeyXRPSBLRPYIACBC-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.45
Rot. Bonds

About 1-ethynyl-2,3-dihydroinden-1-ol

1-ethynyl-2,3-dihydroinden-1-ol (PubChem CID 15647834) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-ethynyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-ethynyl-2,3-dihydroinden-1-ol
PubChem CID15647834
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1-ethynyl-2,3-dihydroinden-1-ol
SMILESC#CC1(O)CCc2ccccc21
InChIInChI=1S/C11H10O/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h1,3-6,12H,7-8H2
InChIKeyXRPSBLRPYIACBC-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2,3-dihydroinden-1-ol?
The IUPAC name of 1-ethynyl-2,3-dihydroinden-1-ol (CID 15647834) is 1-ethynyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-ethynyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-ethynyl-2,3-dihydroinden-1-ol is C#CC1(O)CCc2ccccc21.
What is the InChIKey of 1-ethynyl-2,3-dihydroinden-1-ol?
The InChIKey is XRPSBLRPYIACBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h1,3-6,12H,7-8H2.
What are the key properties of 1-ethynyl-2,3-dihydroinden-1-ol?
1-ethynyl-2,3-dihydroinden-1-ol has a molecular weight of 158.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 15647834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).