2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene

C16H18BrFO3 — CID 68537292

IUPAC2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene
SMILESCCCc1cc2cc(OC)c(F)cc2c(OCOC)c1Br
InChIInChI=1S/C16H18BrFO3/c1-4-5-10-6-11-7-14(20-3)13(18)8-12(11)16(15(10)17)21-9-19-2/h6-8H,4-5,9H2,1-3H3
InChIKeyIRMLGXPCJRQRDU-UHFFFAOYSA-N
MW357.22 g/mol
LogP4.69
Rot. Bonds6

About 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene

2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene (PubChem CID 68537292) has the molecular formula C16H18BrFO3 and a molecular weight of 357.22 g/mol. Its IUPAC name is 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene.

Molecular Properties

Compound Name2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene
PubChem CID68537292
Molecular FormulaC16H18BrFO3
Molecular Weight357.22 g/mol
Exact Mass356.04
IUPAC Name2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene
SMILESCCCc1cc2cc(OC)c(F)cc2c(OCOC)c1Br
InChIInChI=1S/C16H18BrFO3/c1-4-5-10-6-11-7-14(20-3)13(18)8-12(11)16(15(10)17)21-9-19-2/h6-8H,4-5,9H2,1-3H3
InChIKeyIRMLGXPCJRQRDU-UHFFFAOYSA-N
XLogP4.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene?
The IUPAC name of 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene (CID 68537292) is 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene.
What is the SMILES notation for 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene?
The canonical SMILES for 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene is CCCc1cc2cc(OC)c(F)cc2c(OCOC)c1Br.
What is the InChIKey of 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene?
The InChIKey is IRMLGXPCJRQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFO3/c1-4-5-10-6-11-7-14(20-3)13(18)8-12(11)16(15(10)17)21-9-19-2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene?
2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene has a molecular weight of 357.22 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluoro-6-methoxy-1-(methoxymethoxy)-3-propylnaphthalene is sourced from PubChem (CID 68537292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).