2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C17H17FO3 — CID 66573699

IUPAC2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cc(OC)c(F)c(OC)c2)cc1
InChIInChI=1S/C17H17FO3/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h4-11H,1-3H3/b5-4+
InChIKeyBIPHLRRRXNLVAP-SNAWJCMRSA-N
MW288.32 g/mol
LogP4.02
Rot. Bonds5

About 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 66573699) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID66573699
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cc(OC)c(F)c(OC)c2)cc1
InChIInChI=1S/C17H17FO3/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h4-11H,1-3H3/b5-4+
InChIKeyBIPHLRRRXNLVAP-SNAWJCMRSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 66573699) is 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2cc(OC)c(F)c(OC)c2)cc1.
What is the InChIKey of 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is BIPHLRRRXNLVAP-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H17FO3/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h4-11H,1-3H3/b5-4+.
What are the key properties of 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 288.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 66573699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).