ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate

C15H15ClO3 — CID 54530969

IUPACethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate
SMILESCCOC(=O)C1CCc2c(oc3cc(Cl)ccc23)C1
InChIInChI=1S/C15H15ClO3/c1-2-18-15(17)9-3-5-11-12-6-4-10(16)8-14(12)19-13(11)7-9/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyYWMXRONQCWEFNN-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.75
Rot. Bonds2

About ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate

ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate (PubChem CID 54530969) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate
PubChem CID54530969
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Nameethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate
SMILESCCOC(=O)C1CCc2c(oc3cc(Cl)ccc23)C1
InChIInChI=1S/C15H15ClO3/c1-2-18-15(17)9-3-5-11-12-6-4-10(16)8-14(12)19-13(11)7-9/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyYWMXRONQCWEFNN-UHFFFAOYSA-N
XLogP3.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate (CID 54530969) is ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate is CCOC(=O)C1CCc2c(oc3cc(Cl)ccc23)C1.
What is the InChIKey of ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate?
The InChIKey is YWMXRONQCWEFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c1-2-18-15(17)9-3-5-11-12-6-4-10(16)8-14(12)19-13(11)7-9/h4,6,8-9H,2-3,5,7H2,1H3.
What are the key properties of ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate?
ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1,2,3,4-tetrahydrodibenzofuran-3-carboxylate is sourced from PubChem (CID 54530969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).