(2,4-dichlorophenyl)methanol

C7H6Cl2O — CID 15684

💊View drug profile → dichlorobenzyl alcohol
IUPAC(2,4-dichlorophenyl)methanol
SMILESOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKeyDBHODFSFBXJZNY-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.49
Rot. Bonds1

About (2,4-dichlorophenyl)methanol

(2,4-dichlorophenyl)methanol (PubChem CID 15684) has the molecular formula C7H6Cl2O and a molecular weight of 177.03 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methanol
PubChem CID15684
Molecular FormulaC7H6Cl2O
Molecular Weight177.03 g/mol
Exact Mass175.98
IUPAC Name(2,4-dichlorophenyl)methanol
SMILESOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKeyDBHODFSFBXJZNY-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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 15684) 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.
What is the InChIKey of (2,4-dichlorophenyl)methanol?
The InChIKey is DBHODFSFBXJZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2.
What are the key properties of (2,4-dichlorophenyl)methanol?
(2,4-dichlorophenyl)methanol has a molecular weight of 177.03 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methanol is sourced from PubChem (CID 15684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).