2-chloro-6-phenylmethoxybenzonitrile

C14H10ClNO — CID 561231

IUPAC2-chloro-6-phenylmethoxybenzonitrile
SMILESN#Cc1c(Cl)cccc1OCc1ccccc1
InChIInChI=1S/C14H10ClNO/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8H,10H2
InChIKeyCEFUICQUABSEPM-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-6-phenylmethoxybenzonitrile

2-chloro-6-phenylmethoxybenzonitrile (PubChem CID 561231) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-6-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name2-chloro-6-phenylmethoxybenzonitrile
PubChem CID561231
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name2-chloro-6-phenylmethoxybenzonitrile
SMILESN#Cc1c(Cl)cccc1OCc1ccccc1
InChIInChI=1S/C14H10ClNO/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8H,10H2
InChIKeyCEFUICQUABSEPM-UHFFFAOYSA-N
XLogP3.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenylmethoxybenzonitrile?
The IUPAC name of 2-chloro-6-phenylmethoxybenzonitrile (CID 561231) is 2-chloro-6-phenylmethoxybenzonitrile.
What is the SMILES notation for 2-chloro-6-phenylmethoxybenzonitrile?
The canonical SMILES for 2-chloro-6-phenylmethoxybenzonitrile is N#Cc1c(Cl)cccc1OCc1ccccc1.
What is the InChIKey of 2-chloro-6-phenylmethoxybenzonitrile?
The InChIKey is CEFUICQUABSEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8H,10H2.
What are the key properties of 2-chloro-6-phenylmethoxybenzonitrile?
2-chloro-6-phenylmethoxybenzonitrile has a molecular weight of 243.69 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenylmethoxybenzonitrile is sourced from PubChem (CID 561231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).