4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile

C16H14ClNO — CID 175684094

IUPAC4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(-c2ccccc2Cl)ccc1C#N
InChIInChI=1S/C16H14ClNO/c1-11(2)19-16-9-12(7-8-13(16)10-18)14-5-3-4-6-15(14)17/h3-9,11H,1-2H3
InChIKeyYGRUBLFSMNHBEH-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.67
Rot. Bonds3

About 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile

4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile (PubChem CID 175684094) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile
PubChem CID175684094
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(-c2ccccc2Cl)ccc1C#N
InChIInChI=1S/C16H14ClNO/c1-11(2)19-16-9-12(7-8-13(16)10-18)14-5-3-4-6-15(14)17/h3-9,11H,1-2H3
InChIKeyYGRUBLFSMNHBEH-UHFFFAOYSA-N
XLogP4.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684093
4-(2-chloro-4-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684104
5-(3-chloro-2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684025
5-(4-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684056
5-(3-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684041
2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile
CID 175129041
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
5-(2-chlorophenyl)-2-cyanobenzoic acid
CID 174620913
2-(difluoromethoxy)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 175686558
5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile
CID 175684018
ethane;propane;2-propan-2-yloxybenzonitrile
CID 145341858
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile (CID 175684094) is 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile is CC(C)Oc1cc(-c2ccccc2Cl)ccc1C#N.
What is the InChIKey of 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile?
The InChIKey is YGRUBLFSMNHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-11(2)19-16-9-12(7-8-13(16)10-18)14-5-3-4-6-15(14)17/h3-9,11H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile?
4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile has a molecular weight of 271.75 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 175684094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).