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

C11H10O — CID 15695903

IUPAC2-ethynyl-1,3-dihydroinden-2-ol
SMILESC#CC1(O)Cc2ccccc2C1
InChIInChI=1S/C11H10O/c1-2-11(12)7-9-5-3-4-6-10(9)8-11/h1,3-6,12H,7-8H2
InChIKeyDFXFGYUTPIOKIM-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.15
Rot. Bonds

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

2-ethynyl-1,3-dihydroinden-2-ol (PubChem CID 15695903) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-ethynyl-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-ethynyl-1,3-dihydroinden-2-ol
PubChem CID15695903
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name2-ethynyl-1,3-dihydroinden-2-ol
SMILESC#CC1(O)Cc2ccccc2C1
InChIInChI=1S/C11H10O/c1-2-11(12)7-9-5-3-4-6-10(9)8-11/h1,3-6,12H,7-8H2
InChIKeyDFXFGYUTPIOKIM-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
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 2-ethynyl-1,3-dihydroinden-2-ol?
The IUPAC name of 2-ethynyl-1,3-dihydroinden-2-ol (CID 15695903) is 2-ethynyl-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-ethynyl-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-ethynyl-1,3-dihydroinden-2-ol is C#CC1(O)Cc2ccccc2C1.
What is the InChIKey of 2-ethynyl-1,3-dihydroinden-2-ol?
The InChIKey is DFXFGYUTPIOKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-2-11(12)7-9-5-3-4-6-10(9)8-11/h1,3-6,12H,7-8H2.
What are the key properties of 2-ethynyl-1,3-dihydroinden-2-ol?
2-ethynyl-1,3-dihydroinden-2-ol has a molecular weight of 158.20 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-1,3-dihydroinden-2-ol is sourced from PubChem (CID 15695903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).