chloromethylbenzene;ethenoxyethene

C11H13ClO — CID 175176602

IUPACchloromethylbenzene;ethenoxyethene
SMILESC=COC=C.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.C4H6O/c8-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2;3-4H,1-2H2
InChIKeyYZYXHVSLMQNYFW-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.72
Rot. Bonds3

About chloromethylbenzene;ethenoxyethene

chloromethylbenzene;ethenoxyethene (PubChem CID 175176602) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is chloromethylbenzene;ethenoxyethene.

Molecular Properties

Compound Namechloromethylbenzene;ethenoxyethene
PubChem CID175176602
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Namechloromethylbenzene;ethenoxyethene
SMILESC=COC=C.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.C4H6O/c8-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2;3-4H,1-2H2
InChIKeyYZYXHVSLMQNYFW-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.72
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

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chloromethylbenzene;1,2-dichloroethane
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chloromethylbenzene;N-methylmethanamine
CID 21478070
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Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;ethenoxyethene?
The IUPAC name of chloromethylbenzene;ethenoxyethene (CID 175176602) is chloromethylbenzene;ethenoxyethene.
What is the SMILES notation for chloromethylbenzene;ethenoxyethene?
The canonical SMILES for chloromethylbenzene;ethenoxyethene is C=COC=C.ClCc1ccccc1.
What is the InChIKey of chloromethylbenzene;ethenoxyethene?
The InChIKey is YZYXHVSLMQNYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C4H6O/c8-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-5H,6H2;3-4H,1-2H2.
What are the key properties of chloromethylbenzene;ethenoxyethene?
chloromethylbenzene;ethenoxyethene has a molecular weight of 196.68 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;ethenoxyethene is sourced from PubChem (CID 175176602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).