(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C16H19FO2 — CID 79912683

IUPAC(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCc1ccc(C(=O)C2CCOC3(CCC3)C2)cc1F
InChIInChI=1S/C16H19FO2/c1-11-3-4-12(9-14(11)17)15(18)13-5-8-19-16(10-13)6-2-7-16/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyOJIKFHUISKOTRQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.67
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 79912683) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID79912683
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCc1ccc(C(=O)C2CCOC3(CCC3)C2)cc1F
InChIInChI=1S/C16H19FO2/c1-11-3-4-12(9-14(11)17)15(18)13-5-8-19-16(10-13)6-2-7-16/h3-4,9,13H,2,5-8,10H2,1H3
InChIKeyOJIKFHUISKOTRQ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(4-fluoro-3-methylphenyl)methanone
CID 79908392
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788
(2-fluoro-4-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787768
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787732
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
(3-chloro-4-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79908902

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 79912683) is (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is Cc1ccc(C(=O)C2CCOC3(CCC3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is OJIKFHUISKOTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-11-3-4-12(9-14(11)17)15(18)13-5-8-19-16(10-13)6-2-7-16/h3-4,9,13H,2,5-8,10H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 262.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 79912683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).