2-(2-chloroethoxy)ethenylbenzene

C10H11ClO — CID 54340888

IUPAC2-(2-chloroethoxy)ethenylbenzene
SMILESClCCOC=Cc1ccccc1
InChIInChI=1S/C10H11ClO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9H2
InChIKeyTYWGXLFAGKBDLV-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-chloroethoxy)ethenylbenzene

2-(2-chloroethoxy)ethenylbenzene (PubChem CID 54340888) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(2-chloroethoxy)ethenylbenzene.

Molecular Properties

Compound Name2-(2-chloroethoxy)ethenylbenzene
PubChem CID54340888
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name2-(2-chloroethoxy)ethenylbenzene
SMILESClCCOC=Cc1ccccc1
InChIInChI=1S/C10H11ClO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9H2
InChIKeyTYWGXLFAGKBDLV-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethoxy)ethenylbenzene
CID 54484183
[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene
CID 10821658
2-[(Z)-hex-3-enoxy]ethenylbenzene
CID 155674734
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
2-phenylethenyl hypochlorite
CID 174846966
2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol
CID 70115763
2-(2-cyclohexyloxyethoxy)ethenylbenzene
CID 69034794
[(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium
CID 11372600
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(E)-2-(2,2,3,3-tetrafluoropropoxy)ethenyl]benzene
CID 173305402

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)ethenylbenzene?
The IUPAC name of 2-(2-chloroethoxy)ethenylbenzene (CID 54340888) is 2-(2-chloroethoxy)ethenylbenzene.
What is the SMILES notation for 2-(2-chloroethoxy)ethenylbenzene?
The canonical SMILES for 2-(2-chloroethoxy)ethenylbenzene is ClCCOC=Cc1ccccc1.
What is the InChIKey of 2-(2-chloroethoxy)ethenylbenzene?
The InChIKey is TYWGXLFAGKBDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9H2.
What are the key properties of 2-(2-chloroethoxy)ethenylbenzene?
2-(2-chloroethoxy)ethenylbenzene has a molecular weight of 182.65 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)ethenylbenzene is sourced from PubChem (CID 54340888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).