(2,4-dichlorophenyl)methanol

C14H12Cl4O2 — CID 139071136

IUPAC(2,4-dichlorophenyl)methanol
SMILESOCc1ccc(Cl)cc1Cl.OCc1ccc(Cl)cc1Cl
InChIInChI=1S/2C7H6Cl2O/c2*8-6-2-1-5(4-10)7(9)3-6/h2*1-3,10H,4H2
InChIKeyNPNCUJMHSUMLHE-UHFFFAOYSA-N
MW354.06 g/mol
LogP4.97
Rot. Bonds2

About (2,4-dichlorophenyl)methanol

(2,4-dichlorophenyl)methanol (PubChem CID 139071136) has the molecular formula C14H12Cl4O2 and a molecular weight of 354.06 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methanol
PubChem CID139071136
Molecular FormulaC14H12Cl4O2
Molecular Weight354.06 g/mol
Exact Mass351.96
IUPAC Name(2,4-dichlorophenyl)methanol
SMILESOCc1ccc(Cl)cc1Cl.OCc1ccc(Cl)cc1Cl
InChIInChI=1S/2C7H6Cl2O/c2*8-6-2-1-5(4-10)7(9)3-6/h2*1-3,10H,4H2
InChIKeyNPNCUJMHSUMLHE-UHFFFAOYSA-N
XLogP4.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.06
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methanol?
The IUPAC name of (2,4-dichlorophenyl)methanol (CID 139071136) is (2,4-dichlorophenyl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)methanol is OCc1ccc(Cl)cc1Cl.OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methanol?
The InChIKey is NPNCUJMHSUMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6Cl2O/c2*8-6-2-1-5(4-10)7(9)3-6/h2*1-3,10H,4H2.
What are the key properties of (2,4-dichlorophenyl)methanol?
(2,4-dichlorophenyl)methanol has a molecular weight of 354.06 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methanol is sourced from PubChem (CID 139071136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).