(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol

C12H16O — CID 12927411

IUPAC(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)[C@@H]1C[C@H](O)c2ccccc21
InChIInChI=1S/C12H16O/c1-8(2)11-7-12(13)10-6-4-3-5-9(10)11/h3-6,8,11-13H,7H2,1-2H3/t11-,12-/m0/s1
InChIKeyUAUSFZLVYDLYSY-RYUDHWBXSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds1

About (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol

(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol (PubChem CID 12927411) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
PubChem CID12927411
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)[C@@H]1C[C@H](O)c2ccccc21
InChIInChI=1S/C12H16O/c1-8(2)11-7-12(13)10-6-4-3-5-9(10)11/h3-6,8,11-13H,7H2,1-2H3/t11-,12-/m0/s1
InChIKeyUAUSFZLVYDLYSY-RYUDHWBXSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol (CID 12927411) is (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol is CC(C)[C@@H]1C[C@H](O)c2ccccc21.
What is the InChIKey of (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is UAUSFZLVYDLYSY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16O/c1-8(2)11-7-12(13)10-6-4-3-5-9(10)11/h3-6,8,11-13H,7H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol?
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 12927411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).