4-benzyl-2,3-dichlorophenol

C13H10Cl2O — CID 141169033

IUPAC4-benzyl-2,3-dichlorophenol
SMILESOc1ccc(Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C13H10Cl2O/c14-12-10(6-7-11(16)13(12)15)8-9-4-2-1-3-5-9/h1-7,16H,8H2
InChIKeyWJOUVHSDQPSTRH-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.29
Rot. Bonds2

About 4-benzyl-2,3-dichlorophenol

4-benzyl-2,3-dichlorophenol (PubChem CID 141169033) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-benzyl-2,3-dichlorophenol.

Molecular Properties

Compound Name4-benzyl-2,3-dichlorophenol
PubChem CID141169033
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name4-benzyl-2,3-dichlorophenol
SMILESOc1ccc(Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C13H10Cl2O/c14-12-10(6-7-11(16)13(12)15)8-9-4-2-1-3-5-9/h1-7,16H,8H2
InChIKeyWJOUVHSDQPSTRH-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-chloro-3,4-dimethylbenzene
CID 141001175
lithium;2-benzylphenol;hydride
CID 174706000
2-benzylphenol;ethane
CID 91068983
4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-2,3-dichlorophenol
CID 142098913
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
ethyl 4-benzyl-2,3-dichlorobenzoate
CID 70381316
1,3-dibenzyl-2-chloro-5-methylbenzene
CID 159286619
benzylbenzene;methoxymethane
CID 161110966
4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
2,3,4,5-tetrabenzylphenol
CID 135379668
phenyl(113C)methylbenzene
CID 11194569
bis(benzene-1,4-diol);benzylbenzene
CID 159915102

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,3-dichlorophenol?
The IUPAC name of 4-benzyl-2,3-dichlorophenol (CID 141169033) is 4-benzyl-2,3-dichlorophenol.
What is the SMILES notation for 4-benzyl-2,3-dichlorophenol?
The canonical SMILES for 4-benzyl-2,3-dichlorophenol is Oc1ccc(Cc2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 4-benzyl-2,3-dichlorophenol?
The InChIKey is WJOUVHSDQPSTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c14-12-10(6-7-11(16)13(12)15)8-9-4-2-1-3-5-9/h1-7,16H,8H2.
What are the key properties of 4-benzyl-2,3-dichlorophenol?
4-benzyl-2,3-dichlorophenol has a molecular weight of 253.13 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,3-dichlorophenol is sourced from PubChem (CID 141169033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).