1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene

C16H14F2O4 — CID 53475468

IUPAC1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene
SMILESCOc1ccc(O/C(F)=C(/F)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14F2O4/c1-19-11-3-7-13(8-4-11)21-15(17)16(18)22-14-9-5-12(20-2)6-10-14/h3-10H,1-2H3/b16-15-
InChIKeyWEEUHQABPLMCCH-NXVVXOECSA-N
MW308.28 g/mol
LogP4.23
Rot. Bonds6

About 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene

1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene (PubChem CID 53475468) has the molecular formula C16H14F2O4 and a molecular weight of 308.28 g/mol. Its IUPAC name is 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene
PubChem CID53475468
Molecular FormulaC16H14F2O4
Molecular Weight308.28 g/mol
Exact Mass308.09
IUPAC Name1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene
SMILESCOc1ccc(O/C(F)=C(/F)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14F2O4/c1-19-11-3-7-13(8-4-11)21-15(17)16(18)22-14-9-5-12(20-2)6-10-14/h3-10H,1-2H3/b16-15-
InChIKeyWEEUHQABPLMCCH-NXVVXOECSA-N
XLogP4.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene (CID 53475468) is 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene is COc1ccc(O/C(F)=C(/F)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene?
The InChIKey is WEEUHQABPLMCCH-NXVVXOECSA-N. The full InChI is InChI=1S/C16H14F2O4/c1-19-11-3-7-13(8-4-11)21-15(17)16(18)22-14-9-5-12(20-2)6-10-14/h3-10H,1-2H3/b16-15-.
What are the key properties of 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene?
1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene has a molecular weight of 308.28 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-difluoro-2-(4-methoxyphenoxy)ethenoxy]-4-methoxybenzene is sourced from PubChem (CID 53475468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).