1,2-dichlorobenzene;2-methylphenol

C13H12Cl2O — CID 159780398

IUPAC1,2-dichlorobenzene;2-methylphenol
SMILESCc1ccccc1O.Clc1ccccc1Cl
InChIInChI=1S/C7H8O.C6H4Cl2/c1-6-4-2-3-5-7(6)8;7-5-3-1-2-4-6(5)8/h2-5,8H,1H3;1-4H
InChIKeyNHHAZCMGSKVCDI-UHFFFAOYSA-N
MW255.14 g/mol
LogP4.69
Rot. Bonds

About 1,2-dichlorobenzene;2-methylphenol

1,2-dichlorobenzene;2-methylphenol (PubChem CID 159780398) has the molecular formula C13H12Cl2O and a molecular weight of 255.14 g/mol. Its IUPAC name is 1,2-dichlorobenzene;2-methylphenol.

Molecular Properties

Compound Name1,2-dichlorobenzene;2-methylphenol
PubChem CID159780398
Molecular FormulaC13H12Cl2O
Molecular Weight255.14 g/mol
Exact Mass254.03
IUPAC Name1,2-dichlorobenzene;2-methylphenol
SMILESCc1ccccc1O.Clc1ccccc1Cl
InChIInChI=1S/C7H8O.C6H4Cl2/c1-6-4-2-3-5-7(6)8;7-5-3-1-2-4-6(5)8/h2-5,8H,1H3;1-4H
InChIKeyNHHAZCMGSKVCDI-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methylphenol
CID 54326461
zinc 2-methylphenol
CID 10374903
hydrazine;2-methylphenol
CID 174667823
methanamine;2-methylphenol
CID 19359053
cyclohexane;2-methylphenol
CID 70504255
hydroperoxymethane;2-methylphenol
CID 87131667
1-chloro-2-methylbenzene;dihydrochloride
CID 174485339
CID 66838097
CID 66838097
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814
ethanol;bis(2-methylphenol);titanium
CID 22238726
2-methylphenol;2H-triazole
CID 161448699
1-chloro-2-methylbenzene;ethene
CID 142088810

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;2-methylphenol?
The IUPAC name of 1,2-dichlorobenzene;2-methylphenol (CID 159780398) is 1,2-dichlorobenzene;2-methylphenol.
What is the SMILES notation for 1,2-dichlorobenzene;2-methylphenol?
The canonical SMILES for 1,2-dichlorobenzene;2-methylphenol is Cc1ccccc1O.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;2-methylphenol?
The InChIKey is NHHAZCMGSKVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H4Cl2/c1-6-4-2-3-5-7(6)8;7-5-3-1-2-4-6(5)8/h2-5,8H,1H3;1-4H.
What are the key properties of 1,2-dichlorobenzene;2-methylphenol?
1,2-dichlorobenzene;2-methylphenol has a molecular weight of 255.14 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;2-methylphenol is sourced from PubChem (CID 159780398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).