1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol

C11H14BrFO2 — CID 117443726

IUPAC1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1c(F)cc(CC(C)O)cc1Br
InChIInChI=1S/C11H14BrFO2/c1-7(14)3-8-4-10(12)9(6-15-2)11(13)5-8/h4-5,7,14H,3,6H2,1-2H3
InChIKeyXETWQDNKJRVYMG-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol

1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 117443726) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
PubChem CID117443726
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1c(F)cc(CC(C)O)cc1Br
InChIInChI=1S/C11H14BrFO2/c1-7(14)3-8-4-10(12)9(6-15-2)11(13)5-8/h4-5,7,14H,3,6H2,1-2H3
InChIKeyXETWQDNKJRVYMG-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117287870
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
CID 117473006
3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde
CID 117275832
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 117325737
1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311648
[2,6-difluoro-4-(methoxymethyl)phenyl]methanol
CID 130130923
2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde
CID 87217406

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol (CID 117443726) is 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol is COCc1c(F)cc(CC(C)O)cc1Br.
What is the InChIKey of 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is XETWQDNKJRVYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-7(14)3-8-4-10(12)9(6-15-2)11(13)5-8/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol?
1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 277.13 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117443726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).