1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene

C14H19ClO2 — CID 65457606

IUPAC1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
SMILESCCOc1cccc(CCl)c1OCC1CCC1
InChIInChI=1S/C14H19ClO2/c1-2-16-13-8-4-7-12(9-15)14(13)17-10-11-5-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3
InChIKeyBFXRIJGCSZZGPE-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.00
Rot. Bonds6

About 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene

1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene (PubChem CID 65457606) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
PubChem CID65457606
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
SMILESCCOc1cccc(CCl)c1OCC1CCC1
InChIInChI=1S/C14H19ClO2/c1-2-16-13-8-4-7-12(9-15)14(13)17-10-11-5-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3
InChIKeyBFXRIJGCSZZGPE-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
1-(chloromethyl)-3-ethoxy-2-(3-methylbutoxy)benzene
CID 43366787
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
CID 62699199
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814
[2-(cyclobutylmethoxy)phenyl]methanol
CID 58083532
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
CID 62126746
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene?
The IUPAC name of 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene (CID 65457606) is 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene?
The canonical SMILES for 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene is CCOc1cccc(CCl)c1OCC1CCC1.
What is the InChIKey of 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene?
The InChIKey is BFXRIJGCSZZGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-2-16-13-8-4-7-12(9-15)14(13)17-10-11-5-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3.
What are the key properties of 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene?
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene has a molecular weight of 254.76 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene is sourced from PubChem (CID 65457606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).