ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate

C14H16O4 — CID 102497728

IUPACethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate
SMILESCCOC(=O)C(O)CC1=CCc2ccccc2O1
InChIInChI=1S/C14H16O4/c1-2-17-14(16)12(15)9-11-8-7-10-5-3-4-6-13(10)18-11/h3-6,8,12,15H,2,7,9H2,1H3
InChIKeyOMMIGPBKVNNIEU-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.82
Rot. Bonds4

About ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate

ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate (PubChem CID 102497728) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate
PubChem CID102497728
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Nameethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate
SMILESCCOC(=O)C(O)CC1=CCc2ccccc2O1
InChIInChI=1S/C14H16O4/c1-2-17-14(16)12(15)9-11-8-7-10-5-3-4-6-13(10)18-11/h3-6,8,12,15H,2,7,9H2,1H3
InChIKeyOMMIGPBKVNNIEU-UHFFFAOYSA-N
XLogP1.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate?
The IUPAC name of ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate (CID 102497728) is ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate?
The canonical SMILES for ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate is CCOC(=O)C(O)CC1=CCc2ccccc2O1.
What is the InChIKey of ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate?
The InChIKey is OMMIGPBKVNNIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-2-17-14(16)12(15)9-11-8-7-10-5-3-4-6-13(10)18-11/h3-6,8,12,15H,2,7,9H2,1H3.
What are the key properties of ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate?
ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate has a molecular weight of 248.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4H-chromen-2-yl)-2-hydroxypropanoate is sourced from PubChem (CID 102497728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).