[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol

C9H10BrFO3 — CID 167103502

IUPAC[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1cc(Br)c(CO)cc1F
InChIInChI=1S/C9H10BrFO3/c1-13-5-14-9-3-7(10)6(4-12)2-8(9)11/h2-3,12H,4-5H2,1H3
InChIKeyMVHOLOVPCWCCFK-UHFFFAOYSA-N
MW265.08 g/mol
LogP2.06
Rot. Bonds4

About [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol

[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol (PubChem CID 167103502) has the molecular formula C9H10BrFO3 and a molecular weight of 265.08 g/mol. Its IUPAC name is [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol
PubChem CID167103502
Molecular FormulaC9H10BrFO3
Molecular Weight265.08 g/mol
Exact Mass263.98
IUPAC Name[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1cc(Br)c(CO)cc1F
InChIInChI=1S/C9H10BrFO3/c1-13-5-14-9-3-7(10)6(4-12)2-8(9)11/h2-3,12H,4-5H2,1H3
InChIKeyMVHOLOVPCWCCFK-UHFFFAOYSA-N
XLogP2.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol
CID 159809737
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
[2,4-difluoro-5-(methoxymethoxy)phenyl]boronic acid
CID 164891744
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
5-bromo-2-fluoro-4-(methoxymethoxy)benzaldehyde
CID 135380476
[2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol
CID 121001110
(2,5-difluoro-4-propoxyphenyl)methanol
CID 164890870
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
CID 22031808
4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine
CID 66653354

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol?
The IUPAC name of [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol (CID 167103502) is [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol.
What is the SMILES notation for [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol?
The canonical SMILES for [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol is COCOc1cc(Br)c(CO)cc1F.
What is the InChIKey of [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol?
The InChIKey is MVHOLOVPCWCCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO3/c1-13-5-14-9-3-7(10)6(4-12)2-8(9)11/h2-3,12H,4-5H2,1H3.
What are the key properties of [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol?
[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol has a molecular weight of 265.08 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol is sourced from PubChem (CID 167103502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).