7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane

C14H17FO3 — CID 166159884

IUPAC7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane
SMILESCOc1c(C2COC3(COC3)C2)ccc(F)c1C
InChIInChI=1S/C14H17FO3/c1-9-12(15)4-3-11(13(9)16-2)10-5-14(18-6-10)7-17-8-14/h3-4,10H,5-8H2,1-2H3
InChIKeyRJLWUCUGVFICPN-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.42
Rot. Bonds2

About 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane

7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane (PubChem CID 166159884) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane
PubChem CID166159884
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane
SMILESCOc1c(C2COC3(COC3)C2)ccc(F)c1C
InChIInChI=1S/C14H17FO3/c1-9-12(15)4-3-11(13(9)16-2)10-5-14(18-6-10)7-17-8-14/h3-4,10H,5-8H2,1-2H3
InChIKeyRJLWUCUGVFICPN-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane?
The IUPAC name of 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane (CID 166159884) is 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane.
What is the SMILES notation for 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane?
The canonical SMILES for 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane is COc1c(C2COC3(COC3)C2)ccc(F)c1C.
What is the InChIKey of 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane?
The InChIKey is RJLWUCUGVFICPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-9-12(15)4-3-11(13(9)16-2)10-5-14(18-6-10)7-17-8-14/h3-4,10H,5-8H2,1-2H3.
What are the key properties of 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane?
7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane has a molecular weight of 252.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane is sourced from PubChem (CID 166159884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).