1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol

C14H19BrO2 — CID 103169906

IUPAC1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
SMILESCOc1ccc(Br)cc1CC(O)CC1CCC1
InChIInChI=1S/C14H19BrO2/c1-17-14-6-5-12(15)8-11(14)9-13(16)7-10-3-2-4-10/h5-6,8,10,13,16H,2-4,7,9H2,1H3
InChIKeyNJHQPHMVMQCWIJ-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.55
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol

1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol (PubChem CID 103169906) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
PubChem CID103169906
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
SMILESCOc1ccc(Br)cc1CC(O)CC1CCC1
InChIInChI=1S/C14H19BrO2/c1-17-14-6-5-12(15)8-11(14)9-13(16)7-10-3-2-4-10/h5-6,8,10,13,16H,2-4,7,9H2,1H3
InChIKeyNJHQPHMVMQCWIJ-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115779341
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
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[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779325
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
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115816983
4-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
CID 103165554
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol (CID 103169906) is 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol is COc1ccc(Br)cc1CC(O)CC1CCC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol?
The InChIKey is NJHQPHMVMQCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-17-14-6-5-12(15)8-11(14)9-13(16)7-10-3-2-4-10/h5-6,8,10,13,16H,2-4,7,9H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol?
1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol has a molecular weight of 299.21 g/mol, XLogP of 3.55, 5 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)-3-cyclobutylpropan-2-ol is sourced from PubChem (CID 103169906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).