1-[(Z)-2-bromoethenyl]-4-methoxybenzene

C9H9BrO — CID 6166616

IUPAC1-[(Z)-2-bromoethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C\Br)cc1
InChIInChI=1S/C9H9BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-7H,1H3/b7-6-
InChIKeyMNSBHZNBVJAJND-SREVYHEPSA-N
MW213.07 g/mol
LogP3.06
Rot. Bonds2

About 1-[(Z)-2-bromoethenyl]-4-methoxybenzene

1-[(Z)-2-bromoethenyl]-4-methoxybenzene (PubChem CID 6166616) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-[(Z)-2-bromoethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-bromoethenyl]-4-methoxybenzene
PubChem CID6166616
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name1-[(Z)-2-bromoethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C\Br)cc1
InChIInChI=1S/C9H9BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-7H,1H3/b7-6-
InChIKeyMNSBHZNBVJAJND-SREVYHEPSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
CID 135078844
CID 135078844
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
(E)-1-iodo-4-(4-methoxyphenyl)but-3-en-2-one
CID 102521319
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-methyloxidanium
CID 101057244

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromoethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2-bromoethenyl]-4-methoxybenzene (CID 6166616) is 1-[(Z)-2-bromoethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-bromoethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-bromoethenyl]-4-methoxybenzene is COc1ccc(/C=C\Br)cc1.
What is the InChIKey of 1-[(Z)-2-bromoethenyl]-4-methoxybenzene?
The InChIKey is MNSBHZNBVJAJND-SREVYHEPSA-N. The full InChI is InChI=1S/C9H9BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-7H,1H3/b7-6-.
What are the key properties of 1-[(Z)-2-bromoethenyl]-4-methoxybenzene?
1-[(Z)-2-bromoethenyl]-4-methoxybenzene has a molecular weight of 213.07 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromoethenyl]-4-methoxybenzene is sourced from PubChem (CID 6166616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).