5-chloro-2-phenylmethoxybenzonitrile

C14H10ClNO — CID 1302821

IUPAC5-chloro-2-phenylmethoxybenzonitrile
SMILESN#Cc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C14H10ClNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKeyQLVBAJBSHCGDDJ-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-2-phenylmethoxybenzonitrile

5-chloro-2-phenylmethoxybenzonitrile (PubChem CID 1302821) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-2-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name5-chloro-2-phenylmethoxybenzonitrile
PubChem CID1302821
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name5-chloro-2-phenylmethoxybenzonitrile
SMILESN#Cc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C14H10ClNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKeyQLVBAJBSHCGDDJ-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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Related Compounds

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CID 561371
6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
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4-Chloro-2-methylanisole
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Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
2-Chloro-4-(o-tolyloxy)benzonitrile
CID 11507014
3-Chloro-4-(o-tolyloxy)benzonitrile
CID 11673174
1-Chloro-4-((4-iodobenzyl)oxy)benzene
CID 65489731
2-(Benzyloxy)benzonitrile
CID 2064024
2-[(4-Chlorophenyl)methoxy]-6-methoxybenzonitrile
CID 2824435
2-(4-Chlorophenyl)chromane-6-carbonitrile
CID 5272631
3-[4-chloro-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 12852637

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenylmethoxybenzonitrile?
The IUPAC name of 5-chloro-2-phenylmethoxybenzonitrile (CID 1302821) is 5-chloro-2-phenylmethoxybenzonitrile.
What is the SMILES notation for 5-chloro-2-phenylmethoxybenzonitrile?
The canonical SMILES for 5-chloro-2-phenylmethoxybenzonitrile is N#Cc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 5-chloro-2-phenylmethoxybenzonitrile?
The InChIKey is QLVBAJBSHCGDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2.
What are the key properties of 5-chloro-2-phenylmethoxybenzonitrile?
5-chloro-2-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 5-chloro-2-phenylmethoxybenzonitrile is sourced from PubChem (CID 1302821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).