1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene

C16H15FO2 — CID 174823899

IUPAC1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
SMILESCOc1cc(F)c(C=Cc2ccccc2)cc1OC
InChIInChI=1S/C16H15FO2/c1-18-15-10-13(14(17)11-16(15)19-2)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyXGWKEUGVMQDBGG-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.01
Rot. Bonds4

About 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene

1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene (PubChem CID 174823899) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
PubChem CID174823899
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
SMILESCOc1cc(F)c(C=Cc2ccccc2)cc1OC
InChIInChI=1S/C16H15FO2/c1-18-15-10-13(14(17)11-16(15)19-2)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyXGWKEUGVMQDBGG-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
3-(2-fluoro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 53403843
1-(chloromethyl)-2,5-dimethoxy-4-(2-phenylethenyl)benzene
CID 67839791
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
CID 89110154
CID 89110154
1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
CID 141369705
1-(4,5-difluoro-2-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 162367051
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
CID 21116999
1,2-dimethoxy-3-methyl-4-[(E)-2-phenylethenyl]benzene
CID 10332543

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene?
The IUPAC name of 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene (CID 174823899) is 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene.
What is the SMILES notation for 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene?
The canonical SMILES for 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene is COc1cc(F)c(C=Cc2ccccc2)cc1OC.
What is the InChIKey of 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene?
The InChIKey is XGWKEUGVMQDBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-18-15-10-13(14(17)11-16(15)19-2)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene?
1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene has a molecular weight of 258.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene is sourced from PubChem (CID 174823899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).