1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene

C15H21BrO2 — CID 43472484

IUPAC1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
SMILESCCCOc1ccc(CBr)c(OC2CCCC2)c1
InChIInChI=1S/C15H21BrO2/c1-2-9-17-14-8-7-12(11-16)15(10-14)18-13-5-3-4-6-13/h7-8,10,13H,2-6,9,11H2,1H3
InChIKeyXYVTUUWRMTZGCG-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.69
Rot. Bonds6

About 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene

1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene (PubChem CID 43472484) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
PubChem CID43472484
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
SMILESCCCOc1ccc(CBr)c(OC2CCCC2)c1
InChIInChI=1S/C15H21BrO2/c1-2-9-17-14-8-7-12(11-16)15(10-14)18-13-5-3-4-6-13/h7-8,10,13H,2-6,9,11H2,1H3
InChIKeyXYVTUUWRMTZGCG-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.69
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-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
1-(bromomethyl)-2-(3,5-dimethylcyclohexyl)oxy-4-propoxybenzene
CID 64737684
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
CID 64749837
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
CID 43472455
2-[2-(oxan-4-yloxy)-4-propoxyphenyl]ethanamine
CID 63936099
1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
CID 107137097
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene
CID 64747945
2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine
CID 107137083
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
1-(bromomethyl)-4-propoxy-2-(2-propylsulfonylethoxy)benzene
CID 106726532

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene (CID 43472484) is 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene is CCCOc1ccc(CBr)c(OC2CCCC2)c1.
What is the InChIKey of 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene?
The InChIKey is XYVTUUWRMTZGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-2-9-17-14-8-7-12(11-16)15(10-14)18-13-5-3-4-6-13/h7-8,10,13H,2-6,9,11H2,1H3.
What are the key properties of 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene?
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene has a molecular weight of 313.24 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene is sourced from PubChem (CID 43472484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).