(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C16H20O3 — CID 171947158

IUPAC(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CC3CCC(C2)O3)c(C)c1
InChIInChI=1S/C16H20O3/c1-10-7-12(18-2)5-6-15(10)16(17)11-8-13-3-4-14(9-11)19-13/h5-7,11,13-14H,3-4,8-9H2,1-2H3
InChIKeyNVVHVELYPYGWAJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.14
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171947158) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171947158
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CC3CCC(C2)O3)c(C)c1
InChIInChI=1S/C16H20O3/c1-10-7-12(18-2)5-6-15(10)16(17)11-8-13-3-4-14(9-11)19-13/h5-7,11,13-14H,3-4,8-9H2,1-2H3
InChIKeyNVVHVELYPYGWAJ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947407
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171940676
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947649
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105084741

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171947158) is (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is COc1ccc(C(=O)C2CC3CCC(C2)O3)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is NVVHVELYPYGWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-10-7-12(18-2)5-6-15(10)16(17)11-8-13-3-4-14(9-11)19-13/h5-7,11,13-14H,3-4,8-9H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 260.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171947158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).