(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol

C11H14O — CID 102085537

IUPAC(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc2c(c1)[C@@H](O)[C@@H](C)C2
InChIInChI=1S/C11H14O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8,11-12H,6H2,1-2H3/t8-,11-/m0/s1
InChIKeyODZAJPZIKWGMCJ-KWQFWETISA-N
MW162.23 g/mol
LogP2.22
Rot. Bonds

About (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol

(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 102085537) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
PubChem CID102085537
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc2c(c1)[C@@H](O)[C@@H](C)C2
InChIInChI=1S/C11H14O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8,11-12H,6H2,1-2H3/t8-,11-/m0/s1
InChIKeyODZAJPZIKWGMCJ-KWQFWETISA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol (CID 102085537) is (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol is Cc1ccc2c(c1)[C@@H](O)[C@@H](C)C2.
What is the InChIKey of (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ODZAJPZIKWGMCJ-KWQFWETISA-N. The full InChI is InChI=1S/C11H14O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8,11-12H,6H2,1-2H3/t8-,11-/m0/s1.
What are the key properties of (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol?
(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 162.23 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 102085537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).