5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene

C9H10BrFO3 — CID 164894429

IUPAC5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
SMILESCOCOc1c(F)cc(Br)cc1OC
InChIInChI=1S/C9H10BrFO3/c1-12-5-14-9-7(11)3-6(10)4-8(9)13-2/h3-4H,5H2,1-2H3
InChIKeyHGHFQVWPSKKKRI-UHFFFAOYSA-N
MW265.08 g/mol
LogP2.58
Rot. Bonds4

About 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene

5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene (PubChem CID 164894429) has the molecular formula C9H10BrFO3 and a molecular weight of 265.08 g/mol. Its IUPAC name is 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
PubChem CID164894429
Molecular FormulaC9H10BrFO3
Molecular Weight265.08 g/mol
Exact Mass263.98
IUPAC Name5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
SMILESCOCOc1c(F)cc(Br)cc1OC
InChIInChI=1S/C9H10BrFO3/c1-12-5-14-9-7(11)3-6(10)4-8(9)13-2/h3-4H,5H2,1-2H3
InChIKeyHGHFQVWPSKKKRI-UHFFFAOYSA-N
XLogP2.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 52.58
H-Bond Donors ≤ 50
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-1,3-difluoro-2-methoxybenzene
CID 2773287
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412
1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
CID 130714606
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
CID 142560015
1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene
CID 56613855
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
5-bromo-1-[(3,4-dimethoxyphenyl)methoxy]-2,3-difluorobenzene
CID 107098957
5-bromo-2-fluoro-1-methoxy-3-methylbenzene
CID 74891119
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene
CID 135381311

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene?
The IUPAC name of 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene (CID 164894429) is 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene.
What is the SMILES notation for 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene?
The canonical SMILES for 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene is COCOc1c(F)cc(Br)cc1OC.
What is the InChIKey of 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene?
The InChIKey is HGHFQVWPSKKKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO3/c1-12-5-14-9-7(11)3-6(10)4-8(9)13-2/h3-4H,5H2,1-2H3.
What are the key properties of 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene?
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene has a molecular weight of 265.08 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene is sourced from PubChem (CID 164894429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).