1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene

C13H16Br2O2 — CID 129181829

IUPAC1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
SMILESCCCCOc1ccc(C=C(Br)Br)cc1OC
InChIInChI=1S/C13H16Br2O2/c1-3-4-7-17-11-6-5-10(9-13(14)15)8-12(11)16-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyYSCSGRLFMTWDBI-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.96
Rot. Bonds6

About 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene

1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene (PubChem CID 129181829) has the molecular formula C13H16Br2O2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
PubChem CID129181829
Molecular FormulaC13H16Br2O2
Molecular Weight364.08 g/mol
Exact Mass361.95
IUPAC Name1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
SMILESCCCCOc1ccc(C=C(Br)Br)cc1OC
InChIInChI=1S/C13H16Br2O2/c1-3-4-7-17-11-6-5-10(9-13(14)15)8-12(11)16-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyYSCSGRLFMTWDBI-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
tris((Z)-3-(4-decoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);tetrakis((Z)-3-(3-methoxy-4-nonoxyphenyl)-2-methylprop-2-enenitrile)
CID 158488451
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 6025938
2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4165571
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
CID 102312295
2-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102535095
methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
(Z)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide
CID 19183683
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene?
The IUPAC name of 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene (CID 129181829) is 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene.
What is the SMILES notation for 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene?
The canonical SMILES for 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene is CCCCOc1ccc(C=C(Br)Br)cc1OC.
What is the InChIKey of 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene?
The InChIKey is YSCSGRLFMTWDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O2/c1-3-4-7-17-11-6-5-10(9-13(14)15)8-12(11)16-2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene?
1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene has a molecular weight of 364.08 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene is sourced from PubChem (CID 129181829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).