1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene

C20H23FO3 — CID 2292081

IUPAC1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCCCCOc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C20H23FO3/c1-3-6-16-7-12-19(20(15-16)22-2)24-14-5-4-13-23-18-10-8-17(21)9-11-18/h3,6-12,15H,4-5,13-14H2,1-2H3/b6-3+
InChIKeyUBDJSKREZFYTSY-ZZXKWVIFSA-N
MW330.40 g/mol
LogP5.11
Rot. Bonds9

About 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene

1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 2292081) has the molecular formula C20H23FO3 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID2292081
Molecular FormulaC20H23FO3
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCCCCOc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C20H23FO3/c1-3-6-16-7-12-19(20(15-16)22-2)24-14-5-4-13-23-18-10-8-17(21)9-11-18/h3,6-12,15H,4-5,13-14H2,1-2H3/b6-3+
InChIKeyUBDJSKREZFYTSY-ZZXKWVIFSA-N
XLogP5.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2285613
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
4-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22683971
N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20992695
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478784
6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole
CID 46264639
2-(4-fluorophenyl)-1-methoxy-4-prop-1-enylbenzene
CID 141071420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene (CID 2292081) is 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OCCCCOc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is UBDJSKREZFYTSY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H23FO3/c1-3-6-16-7-12-19(20(15-16)22-2)24-14-5-4-13-23-18-10-8-17(21)9-11-18/h3,6-12,15H,4-5,13-14H2,1-2H3/b6-3+.
What are the key properties of 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene?
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 330.40 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 2292081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).