1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene

C15H13FO — CID 91209223

IUPAC1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene
SMILESC=C(Oc1cccc(C)c1)c1ccccc1F
InChIInChI=1S/C15H13FO/c1-11-6-5-7-13(10-11)17-12(2)14-8-3-4-9-15(14)16/h3-10H,2H2,1H3
InChIKeyHYGOGSZDSMKESG-UHFFFAOYSA-N
MW228.27 g/mol
LogP4.18
Rot. Bonds3

About 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene

1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene (PubChem CID 91209223) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene
PubChem CID91209223
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene
SMILESC=C(Oc1cccc(C)c1)c1ccccc1F
InChIInChI=1S/C15H13FO/c1-11-6-5-7-13(10-11)17-12(2)14-8-3-4-9-15(14)16/h3-10H,2H2,1H3
InChIKeyHYGOGSZDSMKESG-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl) 2-fluorobenzoate
CID 532442
3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
CID 142857117
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072062
(3-methylphenyl) 2-benzoylbenzoate
CID 102060854
(3-methylphenyl) 3,3-dimethyl-2-methylidenebutanoate
CID 139998257
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
(3-methylphenyl) 3-aminopropanoate
CID 82111471
(3-methylphenyl) 2,4,5-trifluoro-3-methoxybenzoate
CID 91730444
bis(3-methylphenyl) 2-methylidenebutanedioate
CID 71403365
[2-fluoro-6-(3-methylphenoxy)phenyl]methanol
CID 114065347
hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 21154482

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene?
The IUPAC name of 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene (CID 91209223) is 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene.
What is the SMILES notation for 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene?
The canonical SMILES for 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene is C=C(Oc1cccc(C)c1)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene?
The InChIKey is HYGOGSZDSMKESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-11-6-5-7-13(10-11)17-12(2)14-8-3-4-9-15(14)16/h3-10H,2H2,1H3.
What are the key properties of 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene?
1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene has a molecular weight of 228.27 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[1-(3-methylphenoxy)ethenyl]benzene is sourced from PubChem (CID 91209223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).