1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene

C20H23BrO3 — CID 2899492

IUPAC1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCCOc2ccccc2Br)c(OC)c1
InChIInChI=1S/C20H23BrO3/c1-3-8-16-11-12-19(20(15-16)22-2)24-14-7-6-13-23-18-10-5-4-9-17(18)21/h3-5,9-12,15H,1,6-8,13-14H2,2H3
InChIKeyGXOFNVXYGNEQSB-UHFFFAOYSA-N
MW391.31 g/mol
LogP5.42
Rot. Bonds10

About 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene

1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene (PubChem CID 2899492) has the molecular formula C20H23BrO3 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
PubChem CID2899492
Molecular FormulaC20H23BrO3
Molecular Weight391.31 g/mol
Exact Mass390.08
IUPAC Name1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCCOc2ccccc2Br)c(OC)c1
InChIInChI=1S/C20H23BrO3/c1-3-8-16-11-12-19(20(15-16)22-2)24-14-7-6-13-23-18-10-5-4-9-17(18)21/h3-5,9-12,15H,1,6-8,13-14H2,2H3
InChIKeyGXOFNVXYGNEQSB-UHFFFAOYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.31
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile
CID 112828122
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
CID 2283204
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
CID 2966288

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene (CID 2899492) is 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene is C=CCc1ccc(OCCCCOc2ccccc2Br)c(OC)c1.
What is the InChIKey of 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is GXOFNVXYGNEQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrO3/c1-3-8-16-11-12-19(20(15-16)22-2)24-14-7-6-13-23-18-10-5-4-9-17(18)21/h3-5,9-12,15H,1,6-8,13-14H2,2H3.
What are the key properties of 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene?
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene has a molecular weight of 391.31 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 2899492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).