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

C13H16O3 — CID 105475566

IUPACethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
SMILESCCOC(=O)Cc1ccc2c(c1)OCCC2
InChIInChI=1S/C13H16O3/c1-2-15-13(14)9-10-5-6-11-4-3-7-16-12(11)8-10/h5-6,8H,2-4,7,9H2,1H3
InChIKeyBSWDQUODBWCZOI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.12
Rot. Bonds3

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

ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate (PubChem CID 105475566) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
PubChem CID105475566
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
SMILESCCOC(=O)Cc1ccc2c(c1)OCCC2
InChIInChI=1S/C13H16O3/c1-2-15-13(14)9-10-5-6-11-4-3-7-16-12(11)8-10/h5-6,8H,2-4,7,9H2,1H3
InChIKeyBSWDQUODBWCZOI-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]piperazine-1-carboxylate
CID 110771148
ethyl 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)acetate
CID 13134780
ethyl 2-(3,4-dihydro-2H-thiochromen-6-yl)acetate
CID 116932100
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
ethyl 2-[8-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]acetate
CID 139761458
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
ethyl 2-(7-bromo-9,10-dihydrophenanthren-2-yl)acetate
CID 71265392
2-oxopropyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55324018
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
CID 115257414
2-fluoro-1,3-dimethylbenzene;7-propyl-3,4-dihydro-2H-chromene
CID 142307080
ethyl 2-(3-methyl-4-sulfanylphenyl)acetate
CID 123806399
3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide
CID 141195353

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate?
The IUPAC name of ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate (CID 105475566) is ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate?
The canonical SMILES for ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate is CCOC(=O)Cc1ccc2c(c1)OCCC2.
What is the InChIKey of ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate?
The InChIKey is BSWDQUODBWCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-15-13(14)9-10-5-6-11-4-3-7-16-12(11)8-10/h5-6,8H,2-4,7,9H2,1H3.
What are the key properties of ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate?
ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate has a molecular weight of 220.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate is sourced from PubChem (CID 105475566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).