1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol

C10H10BrFO — CID 84802774

IUPAC1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
SMILESCc1ccc(Br)c(F)c1C1(O)CC1
InChIInChI=1S/C10H10BrFO/c1-6-2-3-7(11)9(12)8(6)10(13)4-5-10/h2-3,13H,4-5H2,1H3
InChIKeyWYNDLYINCZAGCV-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.88
Rot. Bonds1

About 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol

1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol (PubChem CID 84802774) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
PubChem CID84802774
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
SMILESCc1ccc(Br)c(F)c1C1(O)CC1
InChIInChI=1S/C10H10BrFO/c1-6-2-3-7(11)9(12)8(6)10(13)4-5-10/h2-3,13H,4-5H2,1H3
InChIKeyWYNDLYINCZAGCV-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol
CID 117411677
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
3-fluoro-2-(1-hydroxycyclopropyl)-4-methylphenol
CID 84768678
1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
CID 84768153
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol
CID 106941217
1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
CID 106943803
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 117289591
1-(2-bromo-6-methylphenyl)cyclohexan-1-ol
CID 117104241
3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol
CID 106941435
1-[1-(6-bromo-2-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432883

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol (CID 84802774) is 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol is Cc1ccc(Br)c(F)c1C1(O)CC1.
What is the InChIKey of 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol?
The InChIKey is WYNDLYINCZAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-6-2-3-7(11)9(12)8(6)10(13)4-5-10/h2-3,13H,4-5H2,1H3.
What are the key properties of 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol?
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol has a molecular weight of 245.09 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 84802774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).