1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene

C12H17ClO — CID 91692886

IUPAC1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene
SMILESCC(C)COCCc1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-10(2)9-14-8-7-11-5-3-4-6-12(11)13/h3-6,10H,7-9H2,1-2H3
InChIKeyWHQWRJUPAHMOGM-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.56
Rot. Bonds5

About 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene

1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene (PubChem CID 91692886) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene
PubChem CID91692886
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene
SMILESCC(C)COCCc1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-10(2)9-14-8-7-11-5-3-4-6-12(11)13/h3-6,10H,7-9H2,1-2H3
InChIKeyWHQWRJUPAHMOGM-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
1-chloro-2-(2-propan-2-yloxyethyl)benzene
CID 91691644
2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
CID 106459475
1-(2-butoxyethyl)-2-chlorobenzene
CID 91693275
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
1-(bromomethyl)-3-chloro-2-[2-(2-methylpropoxy)ethoxy]benzene
CID 106454047
3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 106458112
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene?
The IUPAC name of 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene (CID 91692886) is 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene?
The canonical SMILES for 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene is CC(C)COCCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene?
The InChIKey is WHQWRJUPAHMOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-10(2)9-14-8-7-11-5-3-4-6-12(11)13/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene?
1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene has a molecular weight of 212.72 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene is sourced from PubChem (CID 91692886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).