1-(chloromethyl)-2-ethylbenzene

C9H11Cl — CID 524243

IUPAC1-(chloromethyl)-2-ethylbenzene
SMILESCCc1ccccc1CCl
InChIInChI=1S/C9H11Cl/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7H2,1H3
InChIKeyIYRCFBNKBGBMIT-UHFFFAOYSA-N
MW154.64 g/mol
LogP2.99
Rot. Bonds2

About 1-(chloromethyl)-2-ethylbenzene

1-(chloromethyl)-2-ethylbenzene (PubChem CID 524243) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is 1-(chloromethyl)-2-ethylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-ethylbenzene
PubChem CID524243
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Name1-(chloromethyl)-2-ethylbenzene
SMILESCCc1ccccc1CCl
InChIInChI=1S/C9H11Cl/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7H2,1H3
InChIKeyIYRCFBNKBGBMIT-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 52.99
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

1,2-diethylbenzene;hydrobromide
CID 174973685
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
1,2-diethylbenzene;silyloxysilane
CID 158803052
2-(chloromethyl)-6-ethylaniline;hydrochloride
CID 13350301
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
1,2-diethylbenzene;propanal
CID 174478177
1,2-diethylbenzene;formamide
CID 157370947
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
1-(chloromethyl)-2-methylbenzene
CID 11093
1-(chloromethyl)-2-decylbenzene
CID 14385709
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-ethylbenzene?
The IUPAC name of 1-(chloromethyl)-2-ethylbenzene (CID 524243) is 1-(chloromethyl)-2-ethylbenzene.
What is the SMILES notation for 1-(chloromethyl)-2-ethylbenzene?
The canonical SMILES for 1-(chloromethyl)-2-ethylbenzene is CCc1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-ethylbenzene?
The InChIKey is IYRCFBNKBGBMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7H2,1H3.
What are the key properties of 1-(chloromethyl)-2-ethylbenzene?
1-(chloromethyl)-2-ethylbenzene has a molecular weight of 154.64 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-ethylbenzene is sourced from PubChem (CID 524243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).