1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene

C10H11BrO — CID 121395712

IUPAC1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(/C=C/Br)c(C)c1
InChIInChI=1S/C10H11BrO/c1-8-7-10(12-2)4-3-9(8)5-6-11/h3-7H,1-2H3/b6-5+
InChIKeyIGFVTHVVXBLWPG-AATRIKPKSA-N
MW227.10 g/mol
LogP3.37
Rot. Bonds2

About 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene

1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene (PubChem CID 121395712) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene
PubChem CID121395712
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(/C=C/Br)c(C)c1
InChIInChI=1S/C10H11BrO/c1-8-7-10(12-2)4-3-9(8)5-6-11/h3-7H,1-2H3/b6-5+
InChIKeyIGFVTHVVXBLWPG-AATRIKPKSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
CID 145499218
3-(4-methoxy-2-methylphenyl)prop-2-en-1-ol
CID 86025017
N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine
CID 79589795
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole
CID 154691622
2-[(4-methoxy-2-methylphenyl)methylidene]indene-1,3-dione
CID 3460822
4-methoxy-1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 89049645
3-[(E)-2-(4-methoxy-2-methylphenyl)ethenyl]benzenesulfonamide
CID 155479582
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
1,4-bis[(E)-2-(4-bromophenyl)ethenyl]-2-methylbenzene;1-bromo-4-ethylbenzene;4-methoxy-2-methylbenzaldehyde;bromide
CID 162213493
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene (CID 121395712) is 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene is COc1ccc(/C=C/Br)c(C)c1.
What is the InChIKey of 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene?
The InChIKey is IGFVTHVVXBLWPG-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11BrO/c1-8-7-10(12-2)4-3-9(8)5-6-11/h3-7H,1-2H3/b6-5+.
What are the key properties of 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene?
1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene has a molecular weight of 227.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 121395712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).