1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene

C14H19BrO2 — CID 62113881

IUPAC1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene
SMILESCOc1cccc(C(CBr)OC2CCCC2)c1
InChIInChI=1S/C14H19BrO2/c1-16-13-8-4-5-11(9-13)14(10-15)17-12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3
InChIKeyOSFZSOKHXQONLT-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.09
Rot. Bonds5

About 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene

1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene (PubChem CID 62113881) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene
PubChem CID62113881
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene
SMILESCOc1cccc(C(CBr)OC2CCCC2)c1
InChIInChI=1S/C14H19BrO2/c1-16-13-8-4-5-11(9-13)14(10-15)17-12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3
InChIKeyOSFZSOKHXQONLT-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.09
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-cyclohexyloxy-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 62106648
1-(2-bromo-1-propan-2-yloxyethyl)-3-methoxybenzene
CID 62113687
1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene
CID 165495012
1-[2-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-3-methoxybenzene
CID 102722919
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
1-(2-bromo-1-hexoxyethyl)-3-methoxybenzene
CID 62108343
1-[1-(2-ethylcyclohexyl)oxy-2-iodoethyl]-3-methoxybenzene
CID 114772754
2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403
1-[2-bromo-1-(3,3,3-trifluoropropoxy)ethyl]-3-methoxybenzene
CID 82958918
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene?
The IUPAC name of 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene (CID 62113881) is 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene.
What is the SMILES notation for 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene?
The canonical SMILES for 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene is COc1cccc(C(CBr)OC2CCCC2)c1.
What is the InChIKey of 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene?
The InChIKey is OSFZSOKHXQONLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-16-13-8-4-5-11(9-13)14(10-15)17-12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3.
What are the key properties of 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene?
1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene has a molecular weight of 299.21 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene is sourced from PubChem (CID 62113881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).