2-benzyl-4-chlorophenol

C13H11ClO — CID 8425

IUPAC2-benzyl-4-chlorophenol
SMILESOc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChIKeyNCKMMSIFQUPKCK-UHFFFAOYSA-N
MW218.68 g/mol
LogP3.64
Rot. Bonds2

About 2-benzyl-4-chlorophenol

2-benzyl-4-chlorophenol (PubChem CID 8425) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is 2-benzyl-4-chlorophenol.

Molecular Properties

Compound Name2-benzyl-4-chlorophenol
PubChem CID8425
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name2-benzyl-4-chlorophenol
SMILESOc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChIKeyNCKMMSIFQUPKCK-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chlorophenol?
The IUPAC name of 2-benzyl-4-chlorophenol (CID 8425) is 2-benzyl-4-chlorophenol.
What is the SMILES notation for 2-benzyl-4-chlorophenol?
The canonical SMILES for 2-benzyl-4-chlorophenol is Oc1ccc(Cl)cc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-chlorophenol?
The InChIKey is NCKMMSIFQUPKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2.
What are the key properties of 2-benzyl-4-chlorophenol?
2-benzyl-4-chlorophenol has a molecular weight of 218.68 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chlorophenol is sourced from PubChem (CID 8425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).