[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol

C10H14O — CID 24756745

IUPAC[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol
SMILESOCC1=CC=C[C@@H]2CCC[C@H]12
InChIInChI=1S/C10H14O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5,8,10-11H,2,4,6-7H2/t8-,10+/m1/s1
InChIKeyZNALYRSQJJGLPK-SCZZXKLOSA-N
MW150.22 g/mol
LogP1.89
Rot. Bonds1

About [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol

[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol (PubChem CID 24756745) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol.

Molecular Properties

Compound Name[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol
PubChem CID24756745
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol
SMILESOCC1=CC=C[C@@H]2CCC[C@H]12
InChIInChI=1S/C10H14O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5,8,10-11H,2,4,6-7H2/t8-,10+/m1/s1
InChIKeyZNALYRSQJJGLPK-SCZZXKLOSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol?
The IUPAC name of [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol (CID 24756745) is [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol.
What is the SMILES notation for [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol?
The canonical SMILES for [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol is OCC1=CC=C[C@@H]2CCC[C@H]12.
What is the InChIKey of [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol?
The InChIKey is ZNALYRSQJJGLPK-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H14O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5,8,10-11H,2,4,6-7H2/t8-,10+/m1/s1.
What are the key properties of [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol?
[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol has a molecular weight of 150.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol is sourced from PubChem (CID 24756745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).