4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol

C15H12F4O3 — CID 145151828

IUPAC4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol
SMILESCCOc1ccc(C(F)(F)Oc2ccc(O)cc2)c(F)c1F
InChIInChI=1S/C15H12F4O3/c1-2-21-12-8-7-11(13(16)14(12)17)15(18,19)22-10-5-3-9(20)4-6-10/h3-8,20H,2H2,1H3
InChIKeySVCSCGCNNCZYKV-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.20
Rot. Bonds5

About 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol

4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol (PubChem CID 145151828) has the molecular formula C15H12F4O3 and a molecular weight of 316.25 g/mol. Its IUPAC name is 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol.

Molecular Properties

Compound Name4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol
PubChem CID145151828
Molecular FormulaC15H12F4O3
Molecular Weight316.25 g/mol
Exact Mass316.07
IUPAC Name4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol
SMILESCCOc1ccc(C(F)(F)Oc2ccc(O)cc2)c(F)c1F
InChIInChI=1S/C15H12F4O3/c1-2-21-12-8-7-11(13(16)14(12)17)15(18,19)22-10-5-3-9(20)4-6-10/h3-8,20H,2H2,1H3
InChIKeySVCSCGCNNCZYKV-UHFFFAOYSA-N
XLogP4.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol?
The IUPAC name of 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol (CID 145151828) is 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol.
What is the SMILES notation for 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol?
The canonical SMILES for 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol is CCOc1ccc(C(F)(F)Oc2ccc(O)cc2)c(F)c1F.
What is the InChIKey of 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol?
The InChIKey is SVCSCGCNNCZYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O3/c1-2-21-12-8-7-11(13(16)14(12)17)15(18,19)22-10-5-3-9(20)4-6-10/h3-8,20H,2H2,1H3.
What are the key properties of 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol?
4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol has a molecular weight of 316.25 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol is sourced from PubChem (CID 145151828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).