4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol

C18H20F2O3 — CID 137435794

IUPAC4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol
SMILESCC(C)(C)OCCOc1c(F)cc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C18H20F2O3/c1-18(2,3)23-9-8-22-17-15(19)10-13(11-16(17)20)12-4-6-14(21)7-5-12/h4-7,10-11,21H,8-9H2,1-3H3
InChIKeyAXMDQIYLHHMLMX-UHFFFAOYSA-N
MW322.35 g/mol
LogP4.53
Rot. Bonds5

About 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol

4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol (PubChem CID 137435794) has the molecular formula C18H20F2O3 and a molecular weight of 322.35 g/mol. Its IUPAC name is 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol.

Molecular Properties

Compound Name4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol
PubChem CID137435794
Molecular FormulaC18H20F2O3
Molecular Weight322.35 g/mol
Exact Mass322.14
IUPAC Name4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol
SMILESCC(C)(C)OCCOc1c(F)cc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C18H20F2O3/c1-18(2,3)23-9-8-22-17-15(19)10-13(11-16(17)20)12-4-6-14(21)7-5-12/h4-7,10-11,21H,8-9H2,1-3H3
InChIKeyAXMDQIYLHHMLMX-UHFFFAOYSA-N
XLogP4.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol?
The IUPAC name of 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol (CID 137435794) is 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol.
What is the SMILES notation for 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol?
The canonical SMILES for 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol is CC(C)(C)OCCOc1c(F)cc(-c2ccc(O)cc2)cc1F.
What is the InChIKey of 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol?
The InChIKey is AXMDQIYLHHMLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O3/c1-18(2,3)23-9-8-22-17-15(19)10-13(11-16(17)20)12-4-6-14(21)7-5-12/h4-7,10-11,21H,8-9H2,1-3H3.
What are the key properties of 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol?
4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol has a molecular weight of 322.35 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol is sourced from PubChem (CID 137435794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).