4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile

C15H12ClNO2 — CID 112630475

IUPAC4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1ccc(CO)cc1
InChIInChI=1S/C15H12ClNO2/c16-14-6-5-13(8-17)15(7-14)19-10-12-3-1-11(9-18)2-4-12/h1-7,18H,9-10H2
InChIKeyRUNSJNWCVNCBHX-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.28
Rot. Bonds4

About 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile

4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile (PubChem CID 112630475) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
PubChem CID112630475
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1ccc(CO)cc1
InChIInChI=1S/C15H12ClNO2/c16-14-6-5-13(8-17)15(7-14)19-10-12-3-1-11(9-18)2-4-12/h1-7,18H,9-10H2
InChIKeyRUNSJNWCVNCBHX-UHFFFAOYSA-N
XLogP3.28
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
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2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzonitrile
CID 114322730
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743034
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
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4-chloro-2-ethoxybenzonitrile
CID 22721189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile (CID 112630475) is 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile is N#Cc1ccc(Cl)cc1OCc1ccc(CO)cc1.
What is the InChIKey of 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile?
The InChIKey is RUNSJNWCVNCBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-14-6-5-13(8-17)15(7-14)19-10-12-3-1-11(9-18)2-4-12/h1-7,18H,9-10H2.
What are the key properties of 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile?
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile is sourced from PubChem (CID 112630475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).