(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol

C12H16O — CID 100995671

IUPAC(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol
SMILESC[C@H]1c2ccccc2[C@@](C)(O)[C@H]1C
InChIInChI=1S/C12H16O/c1-8-9(2)12(3,13)11-7-5-4-6-10(8)11/h4-9,13H,1-3H3/t8-,9+,12+/m1/s1
InChIKeyUOLYPCDTDAGXFW-PTRXPTGYSA-N
MW176.26 g/mol
LogP2.65
Rot. Bonds

About (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol

(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol (PubChem CID 100995671) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol
PubChem CID100995671
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol
SMILESC[C@H]1c2ccccc2[C@@](C)(O)[C@H]1C
InChIInChI=1S/C12H16O/c1-8-9(2)12(3,13)11-7-5-4-6-10(8)11/h4-9,13H,1-3H3/t8-,9+,12+/m1/s1
InChIKeyUOLYPCDTDAGXFW-PTRXPTGYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol?
The IUPAC name of (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol (CID 100995671) is (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol?
The canonical SMILES for (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol is C[C@H]1c2ccccc2[C@@](C)(O)[C@H]1C.
What is the InChIKey of (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol?
The InChIKey is UOLYPCDTDAGXFW-PTRXPTGYSA-N. The full InChI is InChI=1S/C12H16O/c1-8-9(2)12(3,13)11-7-5-4-6-10(8)11/h4-9,13H,1-3H3/t8-,9+,12+/m1/s1.
What are the key properties of (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol?
(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 100995671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).