2-(5-chloro-2-cyclopropylphenoxy)acetonitrile

C11H10ClNO — CID 54509277

IUPAC2-(5-chloro-2-cyclopropylphenoxy)acetonitrile
SMILESN#CCOc1cc(Cl)ccc1C1CC1
InChIInChI=1S/C11H10ClNO/c12-9-3-4-10(8-1-2-8)11(7-9)14-6-5-13/h3-4,7-8H,1-2,6H2
InChIKeyYHYRPCKFUXNZJY-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.12
Rot. Bonds3

About 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile

2-(5-chloro-2-cyclopropylphenoxy)acetonitrile (PubChem CID 54509277) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-cyclopropylphenoxy)acetonitrile
PubChem CID54509277
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-(5-chloro-2-cyclopropylphenoxy)acetonitrile
SMILESN#CCOc1cc(Cl)ccc1C1CC1
InChIInChI=1S/C11H10ClNO/c12-9-3-4-10(8-1-2-8)11(7-9)14-6-5-13/h3-4,7-8H,1-2,6H2
InChIKeyYHYRPCKFUXNZJY-UHFFFAOYSA-N
XLogP3.12
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile?
The IUPAC name of 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile (CID 54509277) is 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile.
What is the SMILES notation for 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile?
The canonical SMILES for 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile is N#CCOc1cc(Cl)ccc1C1CC1.
What is the InChIKey of 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile?
The InChIKey is YHYRPCKFUXNZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-9-3-4-10(8-1-2-8)11(7-9)14-6-5-13/h3-4,7-8H,1-2,6H2.
What are the key properties of 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile?
2-(5-chloro-2-cyclopropylphenoxy)acetonitrile has a molecular weight of 207.66 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyclopropylphenoxy)acetonitrile is sourced from PubChem (CID 54509277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).