1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol

C16H23BrO2 — CID 115779341

IUPAC1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
SMILESCOc1ccc(Br)cc1CC(O)CCC1CCCC1
InChIInChI=1S/C16H23BrO2/c1-19-16-9-7-14(17)10-13(16)11-15(18)8-6-12-4-2-3-5-12/h7,9-10,12,15,18H,2-6,8,11H2,1H3
InChIKeyLLFCCSDFONGNNF-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.33
Rot. Bonds6

About 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol

1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol (PubChem CID 115779341) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
PubChem CID115779341
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
SMILESCOc1ccc(Br)cc1CC(O)CCC1CCCC1
InChIInChI=1S/C16H23BrO2/c1-19-16-9-7-14(17)10-13(16)11-15(18)8-6-12-4-2-3-5-12/h7,9-10,12,15,18H,2-6,8,11H2,1H3
InChIKeyLLFCCSDFONGNNF-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
CID 103169906
1-(5-bromo-2-methoxyphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 115779296
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-ol
CID 113291156
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779325
4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
CID 63435537
1-(5-bromo-2-methoxyphenyl)undecan-2-ol
CID 115779222
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
1-(5-bromo-2-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927579
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
1-(5-bromo-2-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115817102
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol (CID 115779341) is 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol is COc1ccc(Br)cc1CC(O)CCC1CCCC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol?
The InChIKey is LLFCCSDFONGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-19-16-9-7-14(17)10-13(16)11-15(18)8-6-12-4-2-3-5-12/h7,9-10,12,15,18H,2-6,8,11H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol?
1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol has a molecular weight of 327.26 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol is sourced from PubChem (CID 115779341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).