(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol

C13H18O — CID 101072339

IUPAC(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol
SMILESC[C@@H]1[C@@H](C)c2ccc(O)cc2C1(C)C
InChIInChI=1S/C13H18O/c1-8-9(2)13(3,4)12-7-10(14)5-6-11(8)12/h5-9,14H,1-4H3/t8-,9-/m1/s1
InChIKeyGZLBBWRGVQPPCK-RKDXNWHRSA-N
MW190.29 g/mol
LogP3.42
Rot. Bonds

About (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol

(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol (PubChem CID 101072339) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol.

Molecular Properties

Compound Name(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol
PubChem CID101072339
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol
SMILESC[C@@H]1[C@@H](C)c2ccc(O)cc2C1(C)C
InChIInChI=1S/C13H18O/c1-8-9(2)13(3,4)12-7-10(14)5-6-11(8)12/h5-9,14H,1-4H3/t8-,9-/m1/s1
InChIKeyGZLBBWRGVQPPCK-RKDXNWHRSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol?
The IUPAC name of (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol (CID 101072339) is (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol.
What is the SMILES notation for (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol?
The canonical SMILES for (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol is C[C@@H]1[C@@H](C)c2ccc(O)cc2C1(C)C.
What is the InChIKey of (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol?
The InChIKey is GZLBBWRGVQPPCK-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H18O/c1-8-9(2)13(3,4)12-7-10(14)5-6-11(8)12/h5-9,14H,1-4H3/t8-,9-/m1/s1.
What are the key properties of (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol?
(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol has a molecular weight of 190.29 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol is sourced from PubChem (CID 101072339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).