phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate

C22H17NO4 — CID 46230983

IUPACphenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
SMILESCOc1ccc(-c2ccccc2)c2cc(NC(=O)Oc3ccccc3)oc12
InChIInChI=1S/C22H17NO4/c1-25-19-13-12-17(15-8-4-2-5-9-15)18-14-20(27-21(18)19)23-22(24)26-16-10-6-3-7-11-16/h2-14H,1H3,(H,23,24)
InChIKeyLJHDOOYWZIWTJW-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.72
Rot. Bonds4

About phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate

phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate (PubChem CID 46230983) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
PubChem CID46230983
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Namephenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
SMILESCOc1ccc(-c2ccccc2)c2cc(NC(=O)Oc3ccccc3)oc12
InChIInChI=1S/C22H17NO4/c1-25-19-13-12-17(15-8-4-2-5-9-15)18-14-20(27-21(18)19)23-22(24)26-16-10-6-3-7-11-16/h2-14H,1H3,(H,23,24)
InChIKeyLJHDOOYWZIWTJW-UHFFFAOYSA-N
XLogP5.72
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate?
The IUPAC name of phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate (CID 46230983) is phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate.
What is the SMILES notation for phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate?
The canonical SMILES for phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate is COc1ccc(-c2ccccc2)c2cc(NC(=O)Oc3ccccc3)oc12.
What is the InChIKey of phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate?
The InChIKey is LJHDOOYWZIWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-25-19-13-12-17(15-8-4-2-5-9-15)18-14-20(27-21(18)19)23-22(24)26-16-10-6-3-7-11-16/h2-14H,1H3,(H,23,24).
What are the key properties of phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate?
phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate has a molecular weight of 359.38 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate is sourced from PubChem (CID 46230983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).