2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile

C12H11Cl2NO — CID 65493035

IUPAC2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(COc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H11Cl2NO/c13-9-2-1-3-10(11(9)14)16-8-12(4-5-12)6-7-15/h1-3H,4-6,8H2
InChIKeyWZPNDROOPDHXIK-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.07
Rot. Bonds4

About 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile

2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile (PubChem CID 65493035) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
PubChem CID65493035
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(COc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H11Cl2NO/c13-9-2-1-3-10(11(9)14)16-8-12(4-5-12)6-7-15/h1-3H,4-6,8H2
InChIKeyWZPNDROOPDHXIK-UHFFFAOYSA-N
XLogP4.07
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
CID 65482283
[1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine
CID 94698292
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492627
2-[1-[[4-chloro-2-(chloromethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65497572
2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile
CID 112615677
2-[1-[(2-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65497135
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[[4-(1-aminoethyl)-2-chlorophenoxy]methyl]cyclopropyl]acetonitrile
CID 113389720
2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480727
[4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004571
[1-[(2,3-dichlorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006606

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile (CID 65493035) is 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile is N#CCC1(COc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile?
The InChIKey is WZPNDROOPDHXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-9-2-1-3-10(11(9)14)16-8-12(4-5-12)6-7-15/h1-3H,4-6,8H2.
What are the key properties of 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile?
2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile has a molecular weight of 256.13 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65493035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).