(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene

C14H20O — CID 71027765

IUPAC(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
SMILESCO[C@@H]1c2ccccc2C[C@@H]1C(C)(C)C
InChIInChI=1S/C14H20O/c1-14(2,3)12-9-10-7-5-6-8-11(10)13(12)15-4/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1
InChIKeyAUURDTWRLTYZEV-QWHCGFSZSA-N
MW204.31 g/mol
LogP3.59
Rot. Bonds1

About (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene

(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene (PubChem CID 71027765) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
PubChem CID71027765
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
SMILESCO[C@@H]1c2ccccc2C[C@@H]1C(C)(C)C
InChIInChI=1S/C14H20O/c1-14(2,3)12-9-10-7-5-6-8-11(10)13(12)15-4/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1
InChIKeyAUURDTWRLTYZEV-QWHCGFSZSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene?
The IUPAC name of (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene (CID 71027765) is (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene is CO[C@@H]1c2ccccc2C[C@@H]1C(C)(C)C.
What is the InChIKey of (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene?
The InChIKey is AUURDTWRLTYZEV-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20O/c1-14(2,3)12-9-10-7-5-6-8-11(10)13(12)15-4/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene?
(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene has a molecular weight of 204.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 71027765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).