3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol

C11H14BrFO — CID 117406540

IUPAC3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol
SMILESCc1cc(Br)c(C)c(CCCO)c1F
InChIInChI=1S/C11H14BrFO/c1-7-6-10(12)8(2)9(11(7)13)4-3-5-14/h6,14H,3-5H2,1-2H3
InChIKeyGAHBDRHHWZLCOY-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.13
Rot. Bonds3

About 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol

3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol (PubChem CID 117406540) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol
PubChem CID117406540
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol
SMILESCc1cc(Br)c(C)c(CCCO)c1F
InChIInChI=1S/C11H14BrFO/c1-7-6-10(12)8(2)9(11(7)13)4-3-5-14/h6,14H,3-5H2,1-2H3
InChIKeyGAHBDRHHWZLCOY-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
CID 117369472
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
CID 117420933
3-(4-bromo-2,3,5,6-tetrafluorophenyl)propan-1-ol
CID 117117683
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
3-bromo-5-fluoro-4-(3-hydroxypropyl)benzene-1,2-diol
CID 117416400
3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane
CID 144566079
2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
CID 84768579
3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 117443600
6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
CID 117375119
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol (CID 117406540) is 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol is Cc1cc(Br)c(C)c(CCCO)c1F.
What is the InChIKey of 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol?
The InChIKey is GAHBDRHHWZLCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-7-6-10(12)8(2)9(11(7)13)4-3-5-14/h6,14H,3-5H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol?
3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol has a molecular weight of 261.13 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 117406540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).