[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate

C12H14O3 — CID 102427933

IUPAC[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
SMILESCC(=O)O[C@@H]1CCOc2ccc(C)cc21
InChIInChI=1S/C12H14O3/c1-8-3-4-11-10(7-8)12(5-6-14-11)15-9(2)13/h3-4,7,12H,5-6H2,1-2H3/t12-/m1/s1
InChIKeyJLHCVLPWNKWJBN-GFCCVEGCSA-N
MW206.24 g/mol
LogP2.38
Rot. Bonds1

About [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate

[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate (PubChem CID 102427933) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate.

Molecular Properties

Compound Name[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
PubChem CID102427933
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
SMILESCC(=O)O[C@@H]1CCOc2ccc(C)cc21
InChIInChI=1S/C12H14O3/c1-8-3-4-11-10(7-8)12(5-6-14-11)15-9(2)13/h3-4,7,12H,5-6H2,1-2H3/t12-/m1/s1
InChIKeyJLHCVLPWNKWJBN-GFCCVEGCSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyloxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 119027399
[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
CID 69379697
1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone
CID 117201759
(4R)-6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 167327532
(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
CID 4055527
N-methyl-1-(6-methyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 83907392
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
(7-methyl-4-oxo-2,3-dihydro-1,5-benzodioxepin-3-yl) acetate
CID 102597094
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 7102005
N-[4-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)sulfamoyl]phenyl]acetamide
CID 108781692

Frequently Asked Questions

What is the IUPAC name of [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate?
The IUPAC name of [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate (CID 102427933) is [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate.
What is the SMILES notation for [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate?
The canonical SMILES for [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate is CC(=O)O[C@@H]1CCOc2ccc(C)cc21.
What is the InChIKey of [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate?
The InChIKey is JLHCVLPWNKWJBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-3-4-11-10(7-8)12(5-6-14-11)15-9(2)13/h3-4,7,12H,5-6H2,1-2H3/t12-/m1/s1.
What are the key properties of [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate?
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate has a molecular weight of 206.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate is sourced from PubChem (CID 102427933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).