1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene

C10H11Br — CID 70107802

IUPAC1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cccc(CBr)c1
InChIInChI=1S/C10H11Br/c1-2-4-9-5-3-6-10(7-9)8-11/h2-7H,8H2,1H3/b4-2-
InChIKeyGVGTUALLSSSJRZ-RQOWECAXSA-N
MW211.10 g/mol
LogP3.61
Rot. Bonds2

About 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene

1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene (PubChem CID 70107802) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene
PubChem CID70107802
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cccc(CBr)c1
InChIInChI=1S/C10H11Br/c1-2-4-9-5-3-6-10(7-9)8-11/h2-7H,8H2,1H3/b4-2-
InChIKeyGVGTUALLSSSJRZ-RQOWECAXSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-prop-1-enylphenyl)methanol
CID 73411411
1-[(Z)-prop-1-enyl]-3-propylbenzene
CID 144823919
1,5-bis[3-(bromomethyl)phenyl]penta-1,4-dien-3-one
CID 77385937
ethane;1-[(4-ethylphenyl)methyl]-4-[[3-[(Z)-prop-1-enyl]phenyl]methyl]benzene;propane
CID 142947076
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
N-[4-[3-(bromomethyl)phenyl]but-3-enyl]acetamide
CID 170489715
1-(bromomethyl)-3-[(1E)-2,6-dimethylhepta-1,5-dienyl]benzene
CID 67896351
3-[(E)-prop-1-enyl]benzenethiol
CID 121278189
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
CID 142453326
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
6-[[3-[(E)-prop-1-enyl]phenyl]methoxy]hexan-2-one
CID 135222260

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene (CID 70107802) is 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene is C/C=C\c1cccc(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene?
The InChIKey is GVGTUALLSSSJRZ-RQOWECAXSA-N. The full InChI is InChI=1S/C10H11Br/c1-2-4-9-5-3-6-10(7-9)8-11/h2-7H,8H2,1H3/b4-2-.
What are the key properties of 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene?
1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene has a molecular weight of 211.10 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 70107802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).