3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol

C14H19BrO2 — CID 83151485

IUPAC3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCOc1ccc(Br)cc1CC(C)(CO)C1CC1
InChIInChI=1S/C14H19BrO2/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyCOBIQUDGDYPIIW-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.41
Rot. Bonds5

About 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol

3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol (PubChem CID 83151485) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
PubChem CID83151485
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCOc1ccc(Br)cc1CC(C)(CO)C1CC1
InChIInChI=1S/C14H19BrO2/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyCOBIQUDGDYPIIW-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
CID 83151167
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
CID 83151729
3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564975
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765911
2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059989
N-[2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641210
2-cyclopropyl-N-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 83150816
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
N-tert-butyl-3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83150527

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol (CID 83151485) is 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol is COc1ccc(Br)cc1CC(C)(CO)C1CC1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The InChIKey is COBIQUDGDYPIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11,16H,3-4,8-9H2,1-2H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol is sourced from PubChem (CID 83151485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).