6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol

C12H16O — CID 79726554

IUPAC6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCCc1ccc2c(c1)C(O)C(C)C2
InChIInChI=1S/C12H16O/c1-3-9-4-5-10-6-8(2)12(13)11(10)7-9/h4-5,7-8,12-13H,3,6H2,1-2H3
InChIKeyQJMBRFCJBCQTBG-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.47
Rot. Bonds1

About 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol

6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 79726554) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID79726554
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCCc1ccc2c(c1)C(O)C(C)C2
InChIInChI=1S/C12H16O/c1-3-9-4-5-10-6-8(2)12(13)11(10)7-9/h4-5,7-8,12-13H,3,6H2,1-2H3
InChIKeyQJMBRFCJBCQTBG-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol (CID 79726554) is 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol is CCc1ccc2c(c1)C(O)C(C)C2.
What is the InChIKey of 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is QJMBRFCJBCQTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-9-4-5-10-6-8(2)12(13)11(10)7-9/h4-5,7-8,12-13H,3,6H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol?
6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79726554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).