4-chlorophenol;3,5-dimethylphenol

C14H15ClO2 — CID 160790221

IUPAC4-chlorophenol;3,5-dimethylphenol
SMILESCc1cc(C)cc(O)c1.Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10O.C6H5ClO/c1-6-3-7(2)5-8(9)4-6;7-5-1-3-6(8)4-2-5/h3-5,9H,1-2H3;1-4,8H
InChIKeySBSTZZMJBPWERB-UHFFFAOYSA-N
MW250.72 g/mol
LogP4.05
Rot. Bonds

About 4-chlorophenol;3,5-dimethylphenol

4-chlorophenol;3,5-dimethylphenol (PubChem CID 160790221) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 4-chlorophenol;3,5-dimethylphenol.

Molecular Properties

Compound Name4-chlorophenol;3,5-dimethylphenol
PubChem CID160790221
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name4-chlorophenol;3,5-dimethylphenol
SMILESCc1cc(C)cc(O)c1.Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10O.C6H5ClO/c1-6-3-7(2)5-8(9)4-6;7-5-1-3-6(8)4-2-5/h3-5,9H,1-2H3;1-4,8H
InChIKeySBSTZZMJBPWERB-UHFFFAOYSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;3,5-dimethylphenol?
The IUPAC name of 4-chlorophenol;3,5-dimethylphenol (CID 160790221) is 4-chlorophenol;3,5-dimethylphenol.
What is the SMILES notation for 4-chlorophenol;3,5-dimethylphenol?
The canonical SMILES for 4-chlorophenol;3,5-dimethylphenol is Cc1cc(C)cc(O)c1.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;3,5-dimethylphenol?
The InChIKey is SBSTZZMJBPWERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H5ClO/c1-6-3-7(2)5-8(9)4-6;7-5-1-3-6(8)4-2-5/h3-5,9H,1-2H3;1-4,8H.
What are the key properties of 4-chlorophenol;3,5-dimethylphenol?
4-chlorophenol;3,5-dimethylphenol has a molecular weight of 250.72 g/mol, XLogP of 4.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;3,5-dimethylphenol is sourced from PubChem (CID 160790221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).