(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C15H17FO3 — CID 171947407

IUPAC(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(F)c(C(=O)C2CC3CCC(C2)O3)c1
InChIInChI=1S/C15H17FO3/c1-18-10-4-5-14(16)13(8-10)15(17)9-6-11-2-3-12(7-9)19-11/h4-5,8-9,11-12H,2-3,6-7H2,1H3
InChIKeyNCLLSVPDOHPZRP-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.97
Rot. Bonds3

About (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171947407) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171947407
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(F)c(C(=O)C2CC3CCC(C2)O3)c1
InChIInChI=1S/C15H17FO3/c1-18-10-4-5-14(16)13(8-10)15(17)9-6-11-2-3-12(7-9)19-11/h4-5,8-9,11-12H,2-3,6-7H2,1H3
InChIKeyNCLLSVPDOHPZRP-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171947407) is (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is COc1ccc(F)c(C(=O)C2CC3CCC(C2)O3)c1.
What is the InChIKey of (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is NCLLSVPDOHPZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-18-10-4-5-14(16)13(8-10)15(17)9-6-11-2-3-12(7-9)19-11/h4-5,8-9,11-12H,2-3,6-7H2,1H3.
What are the key properties of (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 264.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171947407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).