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

C13H16O3 — CID 105475565

IUPACmethyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2c(c1)OCCC2
InChIInChI=1S/C13H16O3/c1-9(13(14)15-2)11-6-5-10-4-3-7-16-12(10)8-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNYQJYFXLLOARBL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.29
Rot. Bonds2

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

methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate (PubChem CID 105475565) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate
PubChem CID105475565
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2c(c1)OCCC2
InChIInChI=1S/C13H16O3/c1-9(13(14)15-2)11-6-5-10-4-3-7-16-12(10)8-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNYQJYFXLLOARBL-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 96753008
2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 82605108
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanehydrazide
CID 116843838
(1S)-1-(3,4-dihydro-2H-chromen-7-yl)-N,N-di(ethyl)ethanamine;yttrium
CID 162113135
methyl 2-(butan-2-ylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate
CID 61025034
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methyl]-3-methylbutanoate
CID 62394211
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66288795
ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
CID 105475566
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate
CID 105426445
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate (CID 105475565) is methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate is COC(=O)C(C)c1ccc2c(c1)OCCC2.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate?
The InChIKey is NYQJYFXLLOARBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(13(14)15-2)11-6-5-10-4-3-7-16-12(10)8-11/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate?
methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate has a molecular weight of 220.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-chromen-7-yl)propanoate is sourced from PubChem (CID 105475565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).