2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol

C15H13ClF2O4 — CID 153387768

IUPAC2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol
SMILESCOc1cc(OCOc2cc(O)c(Cl)cc2F)c(F)cc1C
InChIInChI=1S/C15H13ClF2O4/c1-8-3-10(17)15(6-13(8)20-2)22-7-21-14-5-12(19)9(16)4-11(14)18/h3-6,19H,7H2,1-2H3
InChIKeyMJILWZTYEZHEDB-UHFFFAOYSA-N
MW330.71 g/mol
LogP4.06
Rot. Bonds5

About 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol

2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol (PubChem CID 153387768) has the molecular formula C15H13ClF2O4 and a molecular weight of 330.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol
PubChem CID153387768
Molecular FormulaC15H13ClF2O4
Molecular Weight330.71 g/mol
Exact Mass330.05
IUPAC Name2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol
SMILESCOc1cc(OCOc2cc(O)c(Cl)cc2F)c(F)cc1C
InChIInChI=1S/C15H13ClF2O4/c1-8-3-10(17)15(6-13(8)20-2)22-7-21-14-5-12(19)9(16)4-11(14)18/h3-6,19H,7H2,1-2H3
InChIKeyMJILWZTYEZHEDB-UHFFFAOYSA-N
XLogP4.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.71
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol?
The IUPAC name of 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol (CID 153387768) is 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol is COc1cc(OCOc2cc(O)c(Cl)cc2F)c(F)cc1C.
What is the InChIKey of 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol?
The InChIKey is MJILWZTYEZHEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O4/c1-8-3-10(17)15(6-13(8)20-2)22-7-21-14-5-12(19)9(16)4-11(14)18/h3-6,19H,7H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol?
2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol has a molecular weight of 330.71 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[(2-fluoro-5-methoxy-4-methylphenoxy)methoxy]phenol is sourced from PubChem (CID 153387768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).