1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene

C14H17FO — CID 154939618

IUPAC1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene
SMILESC=C(OC)c1cc(F)c(C)cc1/C(C)=C\C
InChIInChI=1S/C14H17FO/c1-6-9(2)12-7-10(3)14(15)8-13(12)11(4)16-5/h6-8H,4H2,1-3,5H3/b9-6-
InChIKeyVUFIMIZKBKGKPZ-TWGQIWQCSA-N
MW220.29 g/mol
LogP4.17
Rot. Bonds3

About 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene

1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene (PubChem CID 154939618) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene
PubChem CID154939618
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene
SMILESC=C(OC)c1cc(F)c(C)cc1/C(C)=C\C
InChIInChI=1S/C14H17FO/c1-6-9(2)12-7-10(3)14(15)8-13(12)11(4)16-5/h6-8H,4H2,1-3,5H3/b9-6-
InChIKeyVUFIMIZKBKGKPZ-TWGQIWQCSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene
CID 167205018
1-(2,4-difluoro-5-methylphenyl)-2-methylprop-2-en-1-one
CID 115781002
2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047
4-fluoro-N-methoxy-2,5-dimethylbenzamide
CID 23394049
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189
4-bromo-2-(1-methoxyethenyl)-1-methylbenzene
CID 146980041
1-buta-1,3-dien-2-yl-4,5-difluoro-2-methylbenzene
CID 142393567
methyl 2-(bromomethyl)-5-fluoro-4-methylbenzoate
CID 171018123
methyl 2-(chloromethyl)-4-fluoro-5-methylbenzoate
CID 171020390
4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 103590813
2-(4-fluoro-2-methoxy-5-methylphenyl)-2-oxoacetic acid
CID 117302524
4-[(E)-1-bromoprop-1-enyl]-5-(1-methoxyethenyl)-2-methylpyridine
CID 166484057

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene (CID 154939618) is 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene is C=C(OC)c1cc(F)c(C)cc1/C(C)=C\C.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene?
The InChIKey is VUFIMIZKBKGKPZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H17FO/c1-6-9(2)12-7-10(3)14(15)8-13(12)11(4)16-5/h6-8H,4H2,1-3,5H3/b9-6-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene?
1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene has a molecular weight of 220.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-4-fluoro-2-(1-methoxyethenyl)-5-methylbenzene is sourced from PubChem (CID 154939618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).