2-chloro-6-(methoxymethyl)benzene-1,4-diol

C8H9ClO3 — CID 24770578

IUPAC2-chloro-6-(methoxymethyl)benzene-1,4-diol
SMILESCOCc1cc(O)cc(Cl)c1O
InChIInChI=1S/C8H9ClO3/c1-12-4-5-2-6(10)3-7(9)8(5)11/h2-3,10-11H,4H2,1H3
InChIKeyIOIPLIMWDHKVPG-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.90
Rot. Bonds2

About 2-chloro-6-(methoxymethyl)benzene-1,4-diol

2-chloro-6-(methoxymethyl)benzene-1,4-diol (PubChem CID 24770578) has the molecular formula C8H9ClO3 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-chloro-6-(methoxymethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-chloro-6-(methoxymethyl)benzene-1,4-diol
PubChem CID24770578
Molecular FormulaC8H9ClO3
Molecular Weight188.61 g/mol
Exact Mass188.02
IUPAC Name2-chloro-6-(methoxymethyl)benzene-1,4-diol
SMILESCOCc1cc(O)cc(Cl)c1O
InChIInChI=1S/C8H9ClO3/c1-12-4-5-2-6(10)3-7(9)8(5)11/h2-3,10-11H,4H2,1H3
InChIKeyIOIPLIMWDHKVPG-UHFFFAOYSA-N
XLogP1.90
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methoxymethyl)benzene-1,4-diol?
The IUPAC name of 2-chloro-6-(methoxymethyl)benzene-1,4-diol (CID 24770578) is 2-chloro-6-(methoxymethyl)benzene-1,4-diol.
What is the SMILES notation for 2-chloro-6-(methoxymethyl)benzene-1,4-diol?
The canonical SMILES for 2-chloro-6-(methoxymethyl)benzene-1,4-diol is COCc1cc(O)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-(methoxymethyl)benzene-1,4-diol?
The InChIKey is IOIPLIMWDHKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3/c1-12-4-5-2-6(10)3-7(9)8(5)11/h2-3,10-11H,4H2,1H3.
What are the key properties of 2-chloro-6-(methoxymethyl)benzene-1,4-diol?
2-chloro-6-(methoxymethyl)benzene-1,4-diol has a molecular weight of 188.61 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methoxymethyl)benzene-1,4-diol is sourced from PubChem (CID 24770578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).