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

C14H19ClO2 — CID 43174667

IUPAC1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
SMILESCCOc1cccc(CCl)c1OC1CCCC1
InChIInChI=1S/C14H19ClO2/c1-2-16-13-9-5-6-11(10-15)14(13)17-12-7-3-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyRSBQBBBDJQEVIA-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.15
Rot. Bonds5

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

1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene (PubChem CID 43174667) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
PubChem CID43174667
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
SMILESCCOc1cccc(CCl)c1OC1CCCC1
InChIInChI=1S/C14H19ClO2/c1-2-16-13-9-5-6-11(10-15)14(13)17-12-7-3-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyRSBQBBBDJQEVIA-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.15
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

[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65457606
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64750217
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
CID 114619680
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene?
The IUPAC name of 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene (CID 43174667) is 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene?
The canonical SMILES for 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene is CCOc1cccc(CCl)c1OC1CCCC1.
What is the InChIKey of 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene?
The InChIKey is RSBQBBBDJQEVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-2-16-13-9-5-6-11(10-15)14(13)17-12-7-3-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene?
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene has a molecular weight of 254.76 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene is sourced from PubChem (CID 43174667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).