ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate

C14H16O3 — CID 102283296

IUPACethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate
SMILESC=C1Oc2ccccc2CC1CC(=O)OCC
InChIInChI=1S/C14H16O3/c1-3-16-14(15)9-12-8-11-6-4-5-7-13(11)17-10(12)2/h4-7,12H,2-3,8-9H2,1H3
InChIKeyFDTOQZSKRXJYMY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.70
Rot. Bonds3

About ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate

ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate (PubChem CID 102283296) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate
PubChem CID102283296
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate
SMILESC=C1Oc2ccccc2CC1CC(=O)OCC
InChIInChI=1S/C14H16O3/c1-3-16-14(15)9-12-8-11-6-4-5-7-13(11)17-10(12)2/h4-7,12H,2-3,8-9H2,1H3
InChIKeyFDTOQZSKRXJYMY-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
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ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate?
The IUPAC name of ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate (CID 102283296) is ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate is C=C1Oc2ccccc2CC1CC(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate?
The InChIKey is FDTOQZSKRXJYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-16-14(15)9-12-8-11-6-4-5-7-13(11)17-10(12)2/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate?
ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate has a molecular weight of 232.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylidene-3,4-dihydrochromen-3-yl)acetate is sourced from PubChem (CID 102283296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).