1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene

C12H15FO2 — CID 20530618

IUPAC1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene
SMILESCCO/C(=C\c1cccc(OC)c1)CF
InChIInChI=1S/C12H15FO2/c1-3-15-12(9-13)8-10-5-4-6-11(7-10)14-2/h4-8H,3,9H2,1-2H3/b12-8-
InChIKeyMKOFXJAHDFGHOD-WQLSENKSSA-N
MW210.25 g/mol
LogP3.04
Rot. Bonds5

About 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene

1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene (PubChem CID 20530618) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene
PubChem CID20530618
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene
SMILESCCO/C(=C\c1cccc(OC)c1)CF
InChIInChI=1S/C12H15FO2/c1-3-15-12(9-13)8-10-5-4-6-11(7-10)14-2/h4-8H,3,9H2,1-2H3/b12-8-
InChIKeyMKOFXJAHDFGHOD-WQLSENKSSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
CID 115038095
3-ethoxycarbonyl-4-(3-methoxyphenyl)but-3-enoic acid
CID 54425724
ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate
CID 5376699
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl 4-(3-methoxyphenyl)-2-methylbuta-2,3-dienoate
CID 117059022
(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
CID 134285602
(E)-2-bromo-3-(3-methoxyphenyl)prop-2-enal
CID 172528523
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
ethyl 6-(3-methoxyphenyl)-4-oxohex-5-enoate
CID 175343436

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene?
The IUPAC name of 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene (CID 20530618) is 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene is CCO/C(=C\c1cccc(OC)c1)CF.
What is the InChIKey of 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene?
The InChIKey is MKOFXJAHDFGHOD-WQLSENKSSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-15-12(9-13)8-10-5-4-6-11(7-10)14-2/h4-8H,3,9H2,1-2H3/b12-8-.
What are the key properties of 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene?
1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene has a molecular weight of 210.25 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene is sourced from PubChem (CID 20530618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).