4-(chloromethyl)-2,6-dimethoxyphenol

C9H11ClO3 — CID 86126298

IUPAC4-(chloromethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CCl)cc(OC)c1O
InChIInChI=1S/C9H11ClO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,5H2,1-2H3
InChIKeyDRVKDFGRRNKASG-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.15
Rot. Bonds3

About 4-(chloromethyl)-2,6-dimethoxyphenol

4-(chloromethyl)-2,6-dimethoxyphenol (PubChem CID 86126298) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-(chloromethyl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(chloromethyl)-2,6-dimethoxyphenol
PubChem CID86126298
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Name4-(chloromethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CCl)cc(OC)c1O
InChIInChI=1S/C9H11ClO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,5H2,1-2H3
InChIKeyDRVKDFGRRNKASG-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(chloromethyl)-2,6-dimethoxyphenol (CID 86126298) is 4-(chloromethyl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(chloromethyl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(chloromethyl)-2,6-dimethoxyphenol is COc1cc(CCl)cc(OC)c1O.
What is the InChIKey of 4-(chloromethyl)-2,6-dimethoxyphenol?
The InChIKey is DRVKDFGRRNKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,5H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2,6-dimethoxyphenol?
4-(chloromethyl)-2,6-dimethoxyphenol has a molecular weight of 202.64 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,6-dimethoxyphenol is sourced from PubChem (CID 86126298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).