(3,5-dichloro-4-methoxyphenyl)methanol

C8H8Cl2O2 — CID 893589

IUPAC(3,5-dichloro-4-methoxyphenyl)methanol
SMILESCOc1c(Cl)cc(CO)cc1Cl
InChIInChI=1S/C8H8Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3
InChIKeyJGXJHWOAICEPDE-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.49
Rot. Bonds2

About (3,5-dichloro-4-methoxyphenyl)methanol

(3,5-dichloro-4-methoxyphenyl)methanol (PubChem CID 893589) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is (3,5-dichloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-dichloro-4-methoxyphenyl)methanol
PubChem CID893589
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name(3,5-dichloro-4-methoxyphenyl)methanol
SMILESCOc1c(Cl)cc(CO)cc1Cl
InChIInChI=1S/C8H8Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3
InChIKeyJGXJHWOAICEPDE-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-methoxyphenyl)methanol?
The IUPAC name of (3,5-dichloro-4-methoxyphenyl)methanol (CID 893589) is (3,5-dichloro-4-methoxyphenyl)methanol.
What is the SMILES notation for (3,5-dichloro-4-methoxyphenyl)methanol?
The canonical SMILES for (3,5-dichloro-4-methoxyphenyl)methanol is COc1c(Cl)cc(CO)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-methoxyphenyl)methanol?
The InChIKey is JGXJHWOAICEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3.
What are the key properties of (3,5-dichloro-4-methoxyphenyl)methanol?
(3,5-dichloro-4-methoxyphenyl)methanol has a molecular weight of 207.06 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 893589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).