methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate

C12H14O3 — CID 86315719

IUPACmethyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cccc(OC)c2C1
InChIInChI=1S/C12H14O3/c1-14-11-5-3-4-8-6-9(7-10(8)11)12(13)15-2/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyFDNXBUIKAOQJAK-SECBINFHSA-N
MW206.24 g/mol
LogP1.58
Rot. Bonds2

About methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate

methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 86315719) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID86315719
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cccc(OC)c2C1
InChIInChI=1S/C12H14O3/c1-14-11-5-3-4-8-6-9(7-10(8)11)12(13)15-2/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyFDNXBUIKAOQJAK-SECBINFHSA-N
XLogP1.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate (CID 86315719) is methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)[C@@H]1Cc2cccc(OC)c2C1.
What is the InChIKey of methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is FDNXBUIKAOQJAK-SECBINFHSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-11-5-3-4-8-6-9(7-10(8)11)12(13)15-2/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate?
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 86315719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).