methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate

C17H13ClO3 — CID 139660117

IUPACmethyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate
SMILESCOC(=O)Cc1oc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C17H13ClO3/c1-20-16(19)10-15-17(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)21-15/h2-9H,10H2,1H3
InChIKeyWSQGJVRJPFZRGL-UHFFFAOYSA-N
MW300.74 g/mol
LogP4.47
Rot. Bonds3

About methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate

methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate (PubChem CID 139660117) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate
PubChem CID139660117
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Namemethyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate
SMILESCOC(=O)Cc1oc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C17H13ClO3/c1-20-16(19)10-15-17(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)21-15/h2-9H,10H2,1H3
InChIKeyWSQGJVRJPFZRGL-UHFFFAOYSA-N
XLogP4.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(6-chloro-2-oxo-4-phenylchromen-3-yl)acetate
CID 54435125
[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
CID 12535905
methyl 2-(6-fluoro-2-oxo-4-phenylchromen-3-yl)acetate
CID 132519209
1-(5-chloro-2-phenyl-1-benzofuran-3-yl)ethanone
CID 21452748
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
2-[(5-chloro-3-phenyl-1-benzofuran-2-yl)methylcarbamoylamino]spiro[3.3]heptane-6-carboxamide
CID 146094177
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate
CID 139937850
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate
CID 10517811
4-(5-bromo-3-phenyl-1-benzofuran-2-yl)butan-2-one
CID 16762244

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate?
The IUPAC name of methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate (CID 139660117) is methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate?
The canonical SMILES for methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate is COC(=O)Cc1oc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate?
The InChIKey is WSQGJVRJPFZRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c1-20-16(19)10-15-17(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)21-15/h2-9H,10H2,1H3.
What are the key properties of methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate?
methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate has a molecular weight of 300.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate is sourced from PubChem (CID 139660117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).