1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene

C19H21FO3 — CID 56950053

IUPAC1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OCCCF)cc2)cc(OC)c1
InChIInChI=1S/C19H21FO3/c1-21-18-12-16(13-19(14-18)22-2)5-4-15-6-8-17(9-7-15)23-11-3-10-20/h4-9,12-14H,3,10-11H2,1-2H3/b5-4+
InChIKeyZULYBXQEZWZPQA-SNAWJCMRSA-N
MW316.37 g/mol
LogP4.61
Rot. Bonds8

About 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene

1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene (PubChem CID 56950053) has the molecular formula C19H21FO3 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
PubChem CID56950053
Molecular FormulaC19H21FO3
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Name1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OCCCF)cc2)cc(OC)c1
InChIInChI=1S/C19H21FO3/c1-21-18-12-16(13-19(14-18)22-2)5-4-15-6-8-17(9-7-15)23-11-3-10-20/h4-9,12-14H,3,10-11H2,1-2H3/b5-4+
InChIKeyZULYBXQEZWZPQA-SNAWJCMRSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene (CID 56950053) is 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene is COc1cc(/C=C/c2ccc(OCCCF)cc2)cc(OC)c1.
What is the InChIKey of 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The InChIKey is ZULYBXQEZWZPQA-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H21FO3/c1-21-18-12-16(13-19(14-18)22-2)5-4-15-6-8-17(9-7-15)23-11-3-10-20/h4-9,12-14H,3,10-11H2,1-2H3/b5-4+.
What are the key properties of 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene has a molecular weight of 316.37 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 56950053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).