ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate

C11H11ClO3 — CID 90984650

IUPACethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H11ClO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-5,10H,2,6H2,1H3
InChIKeyLUVILPNBVOTAFU-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.21
Rot. Bonds2

About ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate

ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 90984650) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID90984650
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Nameethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H11ClO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-5,10H,2,6H2,1H3
InChIKeyLUVILPNBVOTAFU-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mecoprop
CID 7153
(4-chloro-2-Methylphenoxy)acetic acid
CID 7204
Mecoprop-P
CID 185588
MCPA-sodium
CID 2724048
MCPA-2-ethylhexyl
CID 93128
Mecoprop-potassium
CID 23684575
MCPA methyl ester
CID 17089
4-Chloro-2-methylphenoxyacetic acid ethyl ester
CID 17603
2-(2-Allyl-4-chlorophenoxy)acetic acid
CID 248828
Mecoprop-P-potassium
CID 72792426
MCPA-butyl
CID 15578
5-Chloro-2,3-dihydro-benzofuran-2-carboxylic acid
CID 3164025

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate (CID 90984650) is ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate is CCOC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is LUVILPNBVOTAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-5,10H,2,6H2,1H3.
What are the key properties of ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate?
ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 226.66 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 90984650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).