1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene

C16H25FO3 — CID 144588462

IUPAC1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene
SMILESCOCCCOc1cc(C(C)C(C)C)cc(F)c1OC
InChIInChI=1S/C16H25FO3/c1-11(2)12(3)13-9-14(17)16(19-5)15(10-13)20-8-6-7-18-4/h9-12H,6-8H2,1-5H3
InChIKeyADNRGUJQOJXDKT-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.01
Rot. Bonds8

About 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene

1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene (PubChem CID 144588462) has the molecular formula C16H25FO3 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene
PubChem CID144588462
Molecular FormulaC16H25FO3
Molecular Weight284.37 g/mol
Exact Mass284.18
IUPAC Name1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene
SMILESCOCCCOc1cc(C(C)C(C)C)cc(F)c1OC
InChIInChI=1S/C16H25FO3/c1-11(2)12(3)13-9-14(17)16(19-5)15(10-13)20-8-6-7-18-4/h9-12H,6-8H2,1-5H3
InChIKeyADNRGUJQOJXDKT-UHFFFAOYSA-N
XLogP4.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene?
The IUPAC name of 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene (CID 144588462) is 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene?
The canonical SMILES for 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene is COCCCOc1cc(C(C)C(C)C)cc(F)c1OC.
What is the InChIKey of 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene?
The InChIKey is ADNRGUJQOJXDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO3/c1-11(2)12(3)13-9-14(17)16(19-5)15(10-13)20-8-6-7-18-4/h9-12H,6-8H2,1-5H3.
What are the key properties of 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene?
1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene has a molecular weight of 284.37 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-3-(3-methoxypropoxy)-5-(3-methylbutan-2-yl)benzene is sourced from PubChem (CID 144588462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).