ethane;1-ethyl-2,3-dihydroinden-1-ol

C13H20O — CID 90872603

IUPACethane;1-ethyl-2,3-dihydroinden-1-ol
SMILESCC.CCC1(O)CCc2ccccc21
InChIInChI=1S/C11H14O.C2H6/c1-2-11(12)8-7-9-5-3-4-6-10(9)11;1-2/h3-6,12H,2,7-8H2,1H3;1-2H3
InChIKeyIDPNTDQWUZSCJE-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.26
Rot. Bonds1

About ethane;1-ethyl-2,3-dihydroinden-1-ol

ethane;1-ethyl-2,3-dihydroinden-1-ol (PubChem CID 90872603) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;1-ethyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Nameethane;1-ethyl-2,3-dihydroinden-1-ol
PubChem CID90872603
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;1-ethyl-2,3-dihydroinden-1-ol
SMILESCC.CCC1(O)CCc2ccccc21
InChIInChI=1S/C11H14O.C2H6/c1-2-11(12)8-7-9-5-3-4-6-10(9)11;1-2/h3-6,12H,2,7-8H2,1H3;1-2H3
InChIKeyIDPNTDQWUZSCJE-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2,3-dihydroinden-1-ol?
The IUPAC name of ethane;1-ethyl-2,3-dihydroinden-1-ol (CID 90872603) is ethane;1-ethyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for ethane;1-ethyl-2,3-dihydroinden-1-ol?
The canonical SMILES for ethane;1-ethyl-2,3-dihydroinden-1-ol is CC.CCC1(O)CCc2ccccc21.
What is the InChIKey of ethane;1-ethyl-2,3-dihydroinden-1-ol?
The InChIKey is IDPNTDQWUZSCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-2-11(12)8-7-9-5-3-4-6-10(9)11;1-2/h3-6,12H,2,7-8H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-2,3-dihydroinden-1-ol?
ethane;1-ethyl-2,3-dihydroinden-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 90872603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).