(2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol

C9H12O — CID 102412442

IUPAC(2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol
SMILESO[C@H]1C=C2C=CCC[C@H]2C1
InChIInChI=1S/C9H12O/c10-9-5-7-3-1-2-4-8(7)6-9/h1,3,5,8-10H,2,4,6H2/t8-,9-/m0/s1
InChIKeyBGFFVTKUVJEIFA-IUCAKERBSA-N
MW136.19 g/mol
LogP1.64
Rot. Bonds

About (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol

(2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol (PubChem CID 102412442) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol.

Molecular Properties

Compound Name(2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol
PubChem CID102412442
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol
SMILESO[C@H]1C=C2C=CCC[C@H]2C1
InChIInChI=1S/C9H12O/c10-9-5-7-3-1-2-4-8(7)6-9/h1,3,5,8-10H,2,4,6H2/t8-,9-/m0/s1
InChIKeyBGFFVTKUVJEIFA-IUCAKERBSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S)-cyclopent-2-en-1-ol
CID 11789128
(1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol
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CID 71662884
7-methyl-6-nitroso-1,2,8,8a-tetrahydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol?
The IUPAC name of (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol (CID 102412442) is (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol.
What is the SMILES notation for (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol?
The canonical SMILES for (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol is O[C@H]1C=C2C=CCC[C@H]2C1.
What is the InChIKey of (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol?
The InChIKey is BGFFVTKUVJEIFA-IUCAKERBSA-N. The full InChI is InChI=1S/C9H12O/c10-9-5-7-3-1-2-4-8(7)6-9/h1,3,5,8-10H,2,4,6H2/t8-,9-/m0/s1.
What are the key properties of (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol?
(2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol has a molecular weight of 136.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7aS)-2,6,7,7a-tetrahydro-1H-inden-2-ol is sourced from PubChem (CID 102412442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).