2-(2,3-dimethyl-3H-inden-1-yl)ethanol

C13H16O — CID 19910541

IUPAC2-(2,3-dimethyl-3H-inden-1-yl)ethanol
SMILESCC1=C(CCO)c2ccccc2C1C
InChIInChI=1S/C13H16O/c1-9-10(2)12(7-8-14)13-6-4-3-5-11(9)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyLPGGUHRPDKSTKY-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.96
Rot. Bonds2

About 2-(2,3-dimethyl-3H-inden-1-yl)ethanol

2-(2,3-dimethyl-3H-inden-1-yl)ethanol (PubChem CID 19910541) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2,3-dimethyl-3H-inden-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dimethyl-3H-inden-1-yl)ethanol
PubChem CID19910541
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-(2,3-dimethyl-3H-inden-1-yl)ethanol
SMILESCC1=C(CCO)c2ccccc2C1C
InChIInChI=1S/C13H16O/c1-9-10(2)12(7-8-14)13-6-4-3-5-11(9)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyLPGGUHRPDKSTKY-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-3H-inden-1-yl)ethanol?
The IUPAC name of 2-(2,3-dimethyl-3H-inden-1-yl)ethanol (CID 19910541) is 2-(2,3-dimethyl-3H-inden-1-yl)ethanol.
What is the SMILES notation for 2-(2,3-dimethyl-3H-inden-1-yl)ethanol?
The canonical SMILES for 2-(2,3-dimethyl-3H-inden-1-yl)ethanol is CC1=C(CCO)c2ccccc2C1C.
What is the InChIKey of 2-(2,3-dimethyl-3H-inden-1-yl)ethanol?
The InChIKey is LPGGUHRPDKSTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-10(2)12(7-8-14)13-6-4-3-5-11(9)13/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-3H-inden-1-yl)ethanol?
2-(2,3-dimethyl-3H-inden-1-yl)ethanol has a molecular weight of 188.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-3H-inden-1-yl)ethanol is sourced from PubChem (CID 19910541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).