2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile

C12H11Cl2NO — CID 116841855

IUPAC2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
SMILESCOc1c(Cl)cc(Cl)cc1C1(C)CC1C#N
InChIInChI=1S/C12H11Cl2NO/c1-12(5-7(12)6-15)9-3-8(13)4-10(14)11(9)16-2/h3-4,7H,5H2,1-2H3
InChIKeyQBTUZEOKKGQEPA-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.80
Rot. Bonds2

About 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile

2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile (PubChem CID 116841855) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
PubChem CID116841855
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
SMILESCOc1c(Cl)cc(Cl)cc1C1(C)CC1C#N
InChIInChI=1S/C12H11Cl2NO/c1-12(5-7(12)6-15)9-3-8(13)4-10(14)11(9)16-2/h3-4,7H,5H2,1-2H3
InChIKeyQBTUZEOKKGQEPA-UHFFFAOYSA-N
XLogP3.80
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-methoxyphenyl)-methylcyanamide
CID 117043212
2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116841836
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol
CID 117390180
3,5-dichloro-2-methoxyaniline
CID 11217747
methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
CID 157172540
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-(3,5-dichloro-2-methoxyphenyl)ethyl-methylcyanamide
CID 117043509
2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
CID 14431154
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117354237
2-methyl-2-(4-phenylphenyl)cyclopropane-1-carbonitrile
CID 116841830
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
4-chloro-2,3-dimethoxy-6-methylbenzonitrile
CID 117302239

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile?
The IUPAC name of 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile (CID 116841855) is 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile is COc1c(Cl)cc(Cl)cc1C1(C)CC1C#N.
What is the InChIKey of 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile?
The InChIKey is QBTUZEOKKGQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-12(5-7(12)6-15)9-3-8(13)4-10(14)11(9)16-2/h3-4,7H,5H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile?
2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile has a molecular weight of 256.13 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116841855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).