3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol

C13H17BrO2 — CID 116712466

IUPAC3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1ccccc1Br)C1CC1
InChIInChI=1S/C13H17BrO2/c1-16-13(9-6-7-9)12(15)8-10-4-2-3-5-11(10)14/h2-5,9,12-13,15H,6-8H2,1H3
InChIKeyXYVSQJJXBXFZFE-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.78
Rot. Bonds5

About 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol

3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol (PubChem CID 116712466) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
PubChem CID116712466
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1ccccc1Br)C1CC1
InChIInChI=1S/C13H17BrO2/c1-16-13(9-6-7-9)12(15)8-10-4-2-3-5-11(10)14/h2-5,9,12-13,15H,6-8H2,1H3
InChIKeyXYVSQJJXBXFZFE-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712449
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
3-(2-bromophenyl)-1,1-difluoropropan-2-ol
CID 112699172
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
1-(2-bromophenyl)-4-ethylhexane-2,3-diol
CID 103459647
2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine
CID 83913487

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The IUPAC name of 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol (CID 116712466) is 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol.
What is the SMILES notation for 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The canonical SMILES for 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol is COC(C(O)Cc1ccccc1Br)C1CC1.
What is the InChIKey of 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
The InChIKey is XYVSQJJXBXFZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-16-13(9-6-7-9)12(15)8-10-4-2-3-5-11(10)14/h2-5,9,12-13,15H,6-8H2,1H3.
What are the key properties of 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol?
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol has a molecular weight of 285.18 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol is sourced from PubChem (CID 116712466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).