(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

Related Compounds

(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 101064195
dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
CID 13171844
(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 18661299
(1S,2R)-N-(5-hydroxy-2,2-dimethylpentyl)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonamide
CID 126823655
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-2-amine
CID 103028488
1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961
1-tert-butyl-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64689582
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 101064194
4-methoxy-4,5-dihydro-1H-2,3-benzodioxepin-1-ol
CID 10420198

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).