4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene

C12H14Br2O2 — CID 22970780

IUPAC4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
SMILESCCCOc1ccc(C=C(Br)Br)cc1OC
InChIInChI=1S/C12H14Br2O2/c1-3-6-16-10-5-4-9(8-12(13)14)7-11(10)15-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyPBIOMPLHVVOSGE-UHFFFAOYSA-N
MW350.05 g/mol
LogP4.57
Rot. Bonds5

About 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene

4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene (PubChem CID 22970780) has the molecular formula C12H14Br2O2 and a molecular weight of 350.05 g/mol. Its IUPAC name is 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene.

Molecular Properties

Compound Name4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
PubChem CID22970780
Molecular FormulaC12H14Br2O2
Molecular Weight350.05 g/mol
Exact Mass347.94
IUPAC Name4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
SMILESCCCOc1ccc(C=C(Br)Br)cc1OC
InChIInChI=1S/C12H14Br2O2/c1-3-6-16-10-5-4-9(8-12(13)14)7-11(10)15-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyPBIOMPLHVVOSGE-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
CID 129181829
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
CID 79341427
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
CID 79334289
3-(3-methoxy-4-propoxyphenyl)prop-2-enal
CID 79331084
1-(2,2-dibromoethenyl)-2-iodo-5-methoxy-4-propoxybenzene
CID 58718325
(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952138
4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
2-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methylbutanal
CID 79335181

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene?
The IUPAC name of 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene (CID 22970780) is 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene.
What is the SMILES notation for 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene?
The canonical SMILES for 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene is CCCOc1ccc(C=C(Br)Br)cc1OC.
What is the InChIKey of 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene?
The InChIKey is PBIOMPLHVVOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O2/c1-3-6-16-10-5-4-9(8-12(13)14)7-11(10)15-2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene?
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene has a molecular weight of 350.05 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene is sourced from PubChem (CID 22970780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).