2-(chloromethoxy)ethenylbenzene

C9H9ClO — CID 54484183

IUPAC2-(chloromethoxy)ethenylbenzene
SMILESClCOC=Cc1ccccc1
InChIInChI=1S/C9H9ClO/c10-8-11-7-6-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyXRCYZZFLHBVKAM-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.87
Rot. Bonds3

About 2-(chloromethoxy)ethenylbenzene

2-(chloromethoxy)ethenylbenzene (PubChem CID 54484183) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 2-(chloromethoxy)ethenylbenzene.

Molecular Properties

Compound Name2-(chloromethoxy)ethenylbenzene
PubChem CID54484183
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name2-(chloromethoxy)ethenylbenzene
SMILESClCOC=Cc1ccccc1
InChIInChI=1S/C9H9ClO/c10-8-11-7-6-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyXRCYZZFLHBVKAM-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethoxy)ethenylbenzene
CID 54340888
2-phenylethenyl hypochlorite
CID 174846966
[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene
CID 10821658
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
2-[(Z)-hex-3-enoxy]ethenylbenzene
CID 155674734
[(E)-2-(2,2,3,3-tetrafluoropropoxy)ethenyl]benzene
CID 173305402
2-chloroethenylbenzene;copper
CID 174819686
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene
CID 13355038
2-(3-methylpent-2-enoxy)ethenylbenzene
CID 170558651

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)ethenylbenzene?
The IUPAC name of 2-(chloromethoxy)ethenylbenzene (CID 54484183) is 2-(chloromethoxy)ethenylbenzene.
What is the SMILES notation for 2-(chloromethoxy)ethenylbenzene?
The canonical SMILES for 2-(chloromethoxy)ethenylbenzene is ClCOC=Cc1ccccc1.
What is the InChIKey of 2-(chloromethoxy)ethenylbenzene?
The InChIKey is XRCYZZFLHBVKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c10-8-11-7-6-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-(chloromethoxy)ethenylbenzene?
2-(chloromethoxy)ethenylbenzene has a molecular weight of 168.62 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)ethenylbenzene is sourced from PubChem (CID 54484183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).