2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile

C13H10ClNOS — CID 102674720

IUPAC2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile
SMILESN#Cc1ccc(OCCc2ccsc2)cc1Cl
InChIInChI=1S/C13H10ClNOS/c14-13-7-12(2-1-11(13)8-15)16-5-3-10-4-6-17-9-10/h1-2,4,6-7,9H,3,5H2
InChIKeyCQZWHFKJVGXDNK-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.89
Rot. Bonds4

About 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile

2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile (PubChem CID 102674720) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile
PubChem CID102674720
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile
SMILESN#Cc1ccc(OCCc2ccsc2)cc1Cl
InChIInChI=1S/C13H10ClNOS/c14-13-7-12(2-1-11(13)8-15)16-5-3-10-4-6-17-9-10/h1-2,4,6-7,9H,3,5H2
InChIKeyCQZWHFKJVGXDNK-UHFFFAOYSA-N
XLogP3.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62948337
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
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2-chloro-4-decoxybenzonitrile
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2-chloro-4-pent-4-ynoxybenzonitrile
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2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile
CID 102674746
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
CID 102674632
3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
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3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
CID 64763301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile?
The IUPAC name of 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile (CID 102674720) is 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile?
The canonical SMILES for 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile is N#Cc1ccc(OCCc2ccsc2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile?
The InChIKey is CQZWHFKJVGXDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-13-7-12(2-1-11(13)8-15)16-5-3-10-4-6-17-9-10/h1-2,4,6-7,9H,3,5H2.
What are the key properties of 2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile?
2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile has a molecular weight of 263.75 g/mol, XLogP of 3.89, 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-thiophen-3-ylethoxy)benzonitrile is sourced from PubChem (CID 102674720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).