(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C16H20O3 — CID 79913550

IUPAC(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCOc1ccc(C(=O)C2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H20O3/c1-18-14-5-3-12(4-6-14)15(17)13-7-10-19-16(11-13)8-2-9-16/h3-6,13H,2,7-11H2,1H3
InChIKeyZUFJTPYELHHJER-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.23
Rot. Bonds3

About (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 79913550) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID79913550
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCOc1ccc(C(=O)C2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H20O3/c1-18-14-5-3-12(4-6-14)15(17)13-7-10-19-16(11-13)8-2-9-16/h3-6,13H,2,7-11H2,1H3
InChIKeyZUFJTPYELHHJER-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783940
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
CID 105115605
(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783846
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787732
[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116577640
(3-methoxythiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787276

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 79913550) is (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is COc1ccc(C(=O)C2CCOC3(CCC3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is ZUFJTPYELHHJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-18-14-5-3-12(4-6-14)15(17)13-7-10-19-16(11-13)8-2-9-16/h3-6,13H,2,7-11H2,1H3.
What are the key properties of (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 260.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 79913550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).