2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile

C18H13NO2 — CID 54093245

IUPAC2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2oc(C=Cc3ccc(CO)cc3)cc2c1
InChIInChI=1S/C18H13NO2/c19-11-15-6-8-18-16(9-15)10-17(21-18)7-5-13-1-3-14(12-20)4-2-13/h1-10,20H,12H2
InChIKeyMVIOOINSMHBMOW-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.97
Rot. Bonds3

About 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile

2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile (PubChem CID 54093245) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile
PubChem CID54093245
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2oc(C=Cc3ccc(CO)cc3)cc2c1
InChIInChI=1S/C18H13NO2/c19-11-15-6-8-18-16(9-15)10-17(21-18)7-5-13-1-3-14(12-20)4-2-13/h1-10,20H,12H2
InChIKeyMVIOOINSMHBMOW-UHFFFAOYSA-N
XLogP3.97
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile?
The IUPAC name of 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile (CID 54093245) is 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile?
The canonical SMILES for 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile is N#Cc1ccc2oc(C=Cc3ccc(CO)cc3)cc2c1.
What is the InChIKey of 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile?
The InChIKey is MVIOOINSMHBMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c19-11-15-6-8-18-16(9-15)10-17(21-18)7-5-13-1-3-14(12-20)4-2-13/h1-10,20H,12H2.
What are the key properties of 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile?
2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 54093245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).