2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid

C12H14O3 — CID 57035759

IUPAC2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid
SMILESC[C@@H]1CC(CC(=O)O)c2ccccc2O1
InChIInChI=1S/C12H14O3/c1-8-6-9(7-12(13)14)10-4-2-3-5-11(10)15-8/h2-5,8-9H,6-7H2,1H3,(H,13,14)/t8-,9?/m1/s1
InChIKeySBGIRUZCHNLHAD-VEDVMXKPSA-N
MW206.24 g/mol
LogP2.42
Rot. Bonds2

About 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid

2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid (PubChem CID 57035759) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid
PubChem CID57035759
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid
SMILESC[C@@H]1CC(CC(=O)O)c2ccccc2O1
InChIInChI=1S/C12H14O3/c1-8-6-9(7-12(13)14)10-4-2-3-5-11(10)15-8/h2-5,8-9H,6-7H2,1H3,(H,13,14)/t8-,9?/m1/s1
InChIKeySBGIRUZCHNLHAD-VEDVMXKPSA-N
XLogP2.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid (CID 57035759) is 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid is C[C@@H]1CC(CC(=O)O)c2ccccc2O1.
What is the InChIKey of 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid?
The InChIKey is SBGIRUZCHNLHAD-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-6-9(7-12(13)14)10-4-2-3-5-11(10)15-8/h2-5,8-9H,6-7H2,1H3,(H,13,14)/t8-,9?/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid?
2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid is sourced from PubChem (CID 57035759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).