2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile

C17H14ClNO2 — CID 102674746

IUPAC2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCc2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C17H14ClNO2/c18-16-10-15(3-2-14(16)11-19)20-7-5-12-1-4-17-13(9-12)6-8-21-17/h1-4,9-10H,5-8H2
InChIKeyJXBLQEKYJNXNQY-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile

2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile (PubChem CID 102674746) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile
PubChem CID102674746
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCc2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C17H14ClNO2/c18-16-10-15(3-2-14(16)11-19)20-7-5-12-1-4-17-13(9-12)6-8-21-17/h1-4,9-10H,5-8H2
InChIKeyJXBLQEKYJNXNQY-UHFFFAOYSA-N
XLogP3.77
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 65431769
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
CID 65446556
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
1-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]ethanol
CID 65445625
5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 115956716
4-chloro-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804307
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile (CID 102674746) is 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile is N#Cc1ccc(OCCc2ccc3c(c2)CCO3)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile?
The InChIKey is JXBLQEKYJNXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-16-10-15(3-2-14(16)11-19)20-7-5-12-1-4-17-13(9-12)6-8-21-17/h1-4,9-10H,5-8H2.
What are the key properties of 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile?
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile has a molecular weight of 299.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile is sourced from PubChem (CID 102674746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).