4-chloro-2-propan-2-yloxybenzonitrile

C10H10ClNO — CID 63094610

IUPAC4-chloro-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C10H10ClNO/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7H,1-2H3
InChIKeyFKCYFLVYSUFPMW-UHFFFAOYSA-N
MW195.65 g/mol
LogP3.00
Rot. Bonds2

About 4-chloro-2-propan-2-yloxybenzonitrile

4-chloro-2-propan-2-yloxybenzonitrile (PubChem CID 63094610) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-chloro-2-propan-2-yloxybenzonitrile
PubChem CID63094610
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name4-chloro-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C10H10ClNO/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7H,1-2H3
InChIKeyFKCYFLVYSUFPMW-UHFFFAOYSA-N
XLogP3.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yloxybenzonitrile?
The IUPAC name of 4-chloro-2-propan-2-yloxybenzonitrile (CID 63094610) is 4-chloro-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 4-chloro-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 4-chloro-2-propan-2-yloxybenzonitrile is CC(C)Oc1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-propan-2-yloxybenzonitrile?
The InChIKey is FKCYFLVYSUFPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7H,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yloxybenzonitrile?
4-chloro-2-propan-2-yloxybenzonitrile has a molecular weight of 195.65 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 63094610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).