1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene

C14H21ClO — CID 66036060

IUPAC1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
SMILESCCC(CC)(CCl)Cc1ccccc1OC
InChIInChI=1S/C14H21ClO/c1-4-14(5-2,11-15)10-12-8-6-7-9-13(12)16-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyWVSYIAFVMDIGIZ-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.28
Rot. Bonds6

About 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene

1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene (PubChem CID 66036060) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
PubChem CID66036060
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
SMILESCCC(CC)(CCl)Cc1ccccc1OC
InChIInChI=1S/C14H21ClO/c1-4-14(5-2,11-15)10-12-8-6-7-9-13(12)16-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyWVSYIAFVMDIGIZ-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
CID 79446963
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methoxybenzene
CID 102642148
2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65376186
N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
CID 63509306
N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 114304648
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene?
The IUPAC name of 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene (CID 66036060) is 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene.
What is the SMILES notation for 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene?
The canonical SMILES for 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene is CCC(CC)(CCl)Cc1ccccc1OC.
What is the InChIKey of 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene?
The InChIKey is WVSYIAFVMDIGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-4-14(5-2,11-15)10-12-8-6-7-9-13(12)16-3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene?
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene has a molecular weight of 240.77 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene is sourced from PubChem (CID 66036060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).