1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene

C14H17FO — CID 135014642

IUPAC1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene
SMILESC=C(OCC)C(=C)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FO/c1-5-16-12(4)10(2)11(3)13-6-8-14(15)9-7-13/h6-9,11H,2,4-5H2,1,3H3
InChIKeyFWGVJHHTPBPIBJ-UHFFFAOYSA-N
MW220.29 g/mol
LogP4.04
Rot. Bonds5

About 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene

1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene (PubChem CID 135014642) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene
PubChem CID135014642
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene
SMILESC=C(OCC)C(=C)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FO/c1-5-16-12(4)10(2)11(3)13-6-8-14(15)9-7-13/h6-9,11H,2,4-5H2,1,3H3
InChIKeyFWGVJHHTPBPIBJ-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22336876
(3-Ethoxypropyl)benzene
CID 79929
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CID 162597
3,6-Dihydro-4,6-dimethyl-2-(1-phenylethyl)-2H-pyran
CID 122420336
(1R,7S,7aR)-1-(2-fluorophenyl)-4-methyl-7-prop-1-en-2-yl-1,6,7,7a-tetrahydro-2-benzofuran
CID 46186906
Benzene, (3-propoxypropyl)-
CID 84329
Benzene, (1-methyl-1-(2-propen-1-yloxy)ethyl)-
CID 112323
4-(4-Fluorophenyl)-2,3-dimethylbutan-1-ol
CID 140322397
2-(4-Fluorophenyl)-2-methyloxolane
CID 132520503
(4-Fluorophenyl) methanol, 2-methylpropyl ether
CID 21842477
(4-Fluorophenyl) methanol, n-pentyl ether
CID 23560324
(3-Fluorophenyl) methanol, 2-methylpropyl ether
CID 57917015

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene?
The IUPAC name of 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene (CID 135014642) is 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene?
The canonical SMILES for 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene is C=C(OCC)C(=C)C(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene?
The InChIKey is FWGVJHHTPBPIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-5-16-12(4)10(2)11(3)13-6-8-14(15)9-7-13/h6-9,11H,2,4-5H2,1,3H3.
What are the key properties of 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene?
1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene has a molecular weight of 220.29 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylidenepent-4-en-2-yl)-4-fluorobenzene is sourced from PubChem (CID 135014642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).