methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate

C13H16O3 — CID 71166941

IUPACmethyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)OCC(C)C2
InChIInChI=1S/C13H16O3/c1-9-5-11-4-3-10(7-13(14)15-2)6-12(11)16-8-9/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyBMOZNEDNAVKTJO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.97
Rot. Bonds2

About methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate

methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate (PubChem CID 71166941) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate
PubChem CID71166941
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)OCC(C)C2
InChIInChI=1S/C13H16O3/c1-9-5-11-4-3-10(7-13(14)15-2)6-12(11)16-8-9/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyBMOZNEDNAVKTJO-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate
CID 70603938
methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
CID 88794450
methyl 2-[(4S)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetate
CID 131610471
methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 54070173
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
methyl 2-[4-(tritiomethyl)phenyl]acetate
CID 140891676
methyl 2-(3-propylphenyl)acetate
CID 89333992
ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
CID 105475566
methyl (2S)-6-(2-oxopropyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate
CID 54517168

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate (CID 71166941) is methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate is COC(=O)Cc1ccc2c(c1)OCC(C)C2.
What is the InChIKey of methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate?
The InChIKey is BMOZNEDNAVKTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-5-11-4-3-10(7-13(14)15-2)6-12(11)16-8-9/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate?
methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate has a molecular weight of 220.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate is sourced from PubChem (CID 71166941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).