4-chloro-3-methylphenol;4-chlorophenol

C13H12Cl2O2 — CID 70419775

IUPAC4-chloro-3-methylphenol;4-chlorophenol
SMILESCc1cc(O)ccc1Cl.Oc1ccc(Cl)cc1
InChIInChI=1S/C7H7ClO.C6H5ClO/c1-5-4-6(9)2-3-7(5)8;7-5-1-3-6(8)4-2-5/h2-4,9H,1H3;1-4,8H
InChIKeyBUGFGAXGJCKQKK-UHFFFAOYSA-N
MW271.14 g/mol
LogP4.40
Rot. Bonds

About 4-chloro-3-methylphenol;4-chlorophenol

4-chloro-3-methylphenol;4-chlorophenol (PubChem CID 70419775) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is 4-chloro-3-methylphenol;4-chlorophenol.

Molecular Properties

Compound Name4-chloro-3-methylphenol;4-chlorophenol
PubChem CID70419775
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name4-chloro-3-methylphenol;4-chlorophenol
SMILESCc1cc(O)ccc1Cl.Oc1ccc(Cl)cc1
InChIInChI=1S/C7H7ClO.C6H5ClO/c1-5-4-6(9)2-3-7(5)8;7-5-1-3-6(8)4-2-5/h2-4,9H,1H3;1-4,8H
InChIKeyBUGFGAXGJCKQKK-UHFFFAOYSA-N
XLogP4.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 67130957
CID 67130957
benzene-1,2-diol;4-chloro-3-methylphenol
CID 67381878
4-chlorophenol
CID 4684
4-chlorophenol;3,5-dimethylphenol
CID 160790221
bis(4-chlorophenol);chromium
CID 152534645
CID 6330304
CID 6330304
3-chloro-4-methylphenol
CID 14853
1-chloro-2,4-dimethylbenzene;phenol
CID 159221266
4-chlorophenol;methoxymethane
CID 23617160
magnesium;4-chlorophenol;hydride
CID 174509814
2-chlorobenzene-1,4-diol;2-methylbenzene-1,4-diol
CID 157388501
CID 159053897
CID 159053897

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylphenol;4-chlorophenol?
The IUPAC name of 4-chloro-3-methylphenol;4-chlorophenol (CID 70419775) is 4-chloro-3-methylphenol;4-chlorophenol.
What is the SMILES notation for 4-chloro-3-methylphenol;4-chlorophenol?
The canonical SMILES for 4-chloro-3-methylphenol;4-chlorophenol is Cc1cc(O)ccc1Cl.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-3-methylphenol;4-chlorophenol?
The InChIKey is BUGFGAXGJCKQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO.C6H5ClO/c1-5-4-6(9)2-3-7(5)8;7-5-1-3-6(8)4-2-5/h2-4,9H,1H3;1-4,8H.
What are the key properties of 4-chloro-3-methylphenol;4-chlorophenol?
4-chloro-3-methylphenol;4-chlorophenol has a molecular weight of 271.14 g/mol, XLogP of 4.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylphenol;4-chlorophenol is sourced from PubChem (CID 70419775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).