ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate

C14H18O4 — CID 14330292

IUPACethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
SMILESCCOC(=O)CC1CCOc2ccc(OC)cc21
InChIInChI=1S/C14H18O4/c1-3-17-14(15)8-10-6-7-18-13-5-4-11(16-2)9-12(10)13/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyKJLNQTZOUJAFHB-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.51
Rot. Bonds4

About ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate

ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate (PubChem CID 14330292) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
PubChem CID14330292
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
SMILESCCOC(=O)CC1CCOc2ccc(OC)cc21
InChIInChI=1S/C14H18O4/c1-3-17-14(15)8-10-6-7-18-13-5-4-11(16-2)9-12(10)13/h4-5,9-10H,3,6-8H2,1-2H3
InChIKeyKJLNQTZOUJAFHB-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 170367856
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234
ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate
CID 146232024
ethyl 2-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)acetate
CID 165145944
ethyl 2-(1-cyano-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 139709193
ethyl 2-(1,3,4,5-tetrahydro-2-benzoxepin-5-yl)acetate
CID 165145663
2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
CID 68730092
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate?
The IUPAC name of ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate (CID 14330292) is ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate.
What is the SMILES notation for ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate?
The canonical SMILES for ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate is CCOC(=O)CC1CCOc2ccc(OC)cc21.
What is the InChIKey of ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate?
The InChIKey is KJLNQTZOUJAFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-17-14(15)8-10-6-7-18-13-5-4-11(16-2)9-12(10)13/h4-5,9-10H,3,6-8H2,1-2H3.
What are the key properties of ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate?
ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate has a molecular weight of 250.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate is sourced from PubChem (CID 14330292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).