ethyl 7-chloro-2H-chromene-3-carboxylate

C12H11ClO3 — CID 22934791

IUPACethyl 7-chloro-2H-chromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2ccc(Cl)cc2OC1
InChIInChI=1S/C12H11ClO3/c1-2-15-12(14)9-5-8-3-4-10(13)6-11(8)16-7-9/h3-6H,2,7H2,1H3
InChIKeyPSZOWOCNIHUFLS-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.68
Rot. Bonds2

About ethyl 7-chloro-2H-chromene-3-carboxylate

ethyl 7-chloro-2H-chromene-3-carboxylate (PubChem CID 22934791) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is ethyl 7-chloro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-2H-chromene-3-carboxylate
PubChem CID22934791
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Nameethyl 7-chloro-2H-chromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2ccc(Cl)cc2OC1
InChIInChI=1S/C12H11ClO3/c1-2-15-12(14)9-5-8-3-4-10(13)6-11(8)16-7-9/h3-6H,2,7H2,1H3
InChIKeyPSZOWOCNIHUFLS-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 47013906
7-chloro-3-methyl-2H-chromene
CID 20759998
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18099486
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 55443748
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 46646712
[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 6-chloro-2H-chromene-3-carboxylate
CID 47020775
ethyl 2H-chromene-3-carboxylate;ethyl 7-fluoro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 157397236
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86903483
ethyl 8-ethyl-1,3-dihydro-2-benzoxepine-4-carboxylate
CID 11572326
ethyl 6,8-dibromo-2H-chromene-3-carboxylate
CID 53408342

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-2H-chromene-3-carboxylate?
The IUPAC name of ethyl 7-chloro-2H-chromene-3-carboxylate (CID 22934791) is ethyl 7-chloro-2H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-2H-chromene-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-2H-chromene-3-carboxylate is CCOC(=O)C1=Cc2ccc(Cl)cc2OC1.
What is the InChIKey of ethyl 7-chloro-2H-chromene-3-carboxylate?
The InChIKey is PSZOWOCNIHUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c1-2-15-12(14)9-5-8-3-4-10(13)6-11(8)16-7-9/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 7-chloro-2H-chromene-3-carboxylate?
ethyl 7-chloro-2H-chromene-3-carboxylate has a molecular weight of 238.67 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-2H-chromene-3-carboxylate is sourced from PubChem (CID 22934791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).