1-(chloromethyl)-2-ethenoxybenzene

C9H9ClO — CID 154327624

IUPAC1-(chloromethyl)-2-ethenoxybenzene
SMILESC=COc1ccccc1CCl
InChIInChI=1S/C9H9ClO/c1-2-11-9-6-4-3-5-8(9)7-10/h2-6H,1,7H2
InChIKeyPICGKNWCXDPZIR-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.95
Rot. Bonds3

About 1-(chloromethyl)-2-ethenoxybenzene

1-(chloromethyl)-2-ethenoxybenzene (PubChem CID 154327624) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 1-(chloromethyl)-2-ethenoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-ethenoxybenzene
PubChem CID154327624
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name1-(chloromethyl)-2-ethenoxybenzene
SMILESC=COc1ccccc1CCl
InChIInChI=1S/C9H9ClO/c1-2-11-9-6-4-3-5-8(9)7-10/h2-6H,1,7H2
InChIKeyPICGKNWCXDPZIR-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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

1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
CID 141264907
1,3-bis[2-(chloromethyl)phenoxy]benzene
CID 19038526
1-(2-bromoethoxy)-2-(chloromethyl)benzene
CID 155667771
1-ethenoxy-2-ethenylbenzene;propane
CID 166126256
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
[2-(hydroxymethyl)phenyl] formate
CID 54203489
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
[2-(chloromethyl)phenoxy]-tripropylsilane
CID 68531670
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2-prop-2-enoxyphenyl)methanol
CID 11137475

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-ethenoxybenzene?
The IUPAC name of 1-(chloromethyl)-2-ethenoxybenzene (CID 154327624) is 1-(chloromethyl)-2-ethenoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-2-ethenoxybenzene?
The canonical SMILES for 1-(chloromethyl)-2-ethenoxybenzene is C=COc1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-ethenoxybenzene?
The InChIKey is PICGKNWCXDPZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-2-11-9-6-4-3-5-8(9)7-10/h2-6H,1,7H2.
What are the key properties of 1-(chloromethyl)-2-ethenoxybenzene?
1-(chloromethyl)-2-ethenoxybenzene has a molecular weight of 168.62 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-ethenoxybenzene is sourced from PubChem (CID 154327624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).