1-bromo-3-cyclopentyloxy-5-methylbenzene

C12H15BrO — CID 82184335

IUPAC1-bromo-3-cyclopentyloxy-5-methylbenzene
SMILESCc1cc(Br)cc(OC2CCCC2)c1
InChIInChI=1S/C12H15BrO/c1-9-6-10(13)8-12(7-9)14-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3
InChIKeyUNCXWWPCLRMXBX-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.08
Rot. Bonds2

About 1-bromo-3-cyclopentyloxy-5-methylbenzene

1-bromo-3-cyclopentyloxy-5-methylbenzene (PubChem CID 82184335) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-bromo-3-cyclopentyloxy-5-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-cyclopentyloxy-5-methylbenzene
PubChem CID82184335
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-bromo-3-cyclopentyloxy-5-methylbenzene
SMILESCc1cc(Br)cc(OC2CCCC2)c1
InChIInChI=1S/C12H15BrO/c1-9-6-10(13)8-12(7-9)14-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3
InChIKeyUNCXWWPCLRMXBX-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187
(4-bromo-3,5-dimethylphenoxy)cycloheptane
CID 107723724
3-(3,5-dimethylphenoxy)azepane
CID 82019169
4-(3,5-dimethylphenoxy)piperidine
CID 20735339
(3-methylphenoxy)cyclononane
CID 145391482
3-cyclohexyloxy-5-methylbenzamide
CID 143171162
1-bromo-4-cyclopentyloxybenzene
CID 22599958
3-cyclobutyloxy-5-methylpyridine
CID 130057239
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide
CID 91656214

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclopentyloxy-5-methylbenzene?
The IUPAC name of 1-bromo-3-cyclopentyloxy-5-methylbenzene (CID 82184335) is 1-bromo-3-cyclopentyloxy-5-methylbenzene.
What is the SMILES notation for 1-bromo-3-cyclopentyloxy-5-methylbenzene?
The canonical SMILES for 1-bromo-3-cyclopentyloxy-5-methylbenzene is Cc1cc(Br)cc(OC2CCCC2)c1.
What is the InChIKey of 1-bromo-3-cyclopentyloxy-5-methylbenzene?
The InChIKey is UNCXWWPCLRMXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9-6-10(13)8-12(7-9)14-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-bromo-3-cyclopentyloxy-5-methylbenzene?
1-bromo-3-cyclopentyloxy-5-methylbenzene has a molecular weight of 255.15 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclopentyloxy-5-methylbenzene is sourced from PubChem (CID 82184335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).