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

C15H18O3 — CID 171944243

IUPAC(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccccc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C15H18O3/c1-17-14-5-3-2-4-13(14)15(16)10-8-11-6-7-12(9-10)18-11/h2-5,10-12H,6-9H2,1H3
InChIKeyMXIFYEGZAJWJJR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.84
Rot. Bonds3

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

(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171944243) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171944243
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccccc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C15H18O3/c1-17-14-5-3-2-4-13(14)15(16)10-8-11-6-7-12(9-10)18-11/h2-5,10-12H,6-9H2,1H3
InChIKeyMXIFYEGZAJWJJR-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
8-oxabicyclo[3.2.1]octan-3-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 171949290
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171946489
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
2-[(2-methoxybenzoyl)amino]butanoic acid;5-oxabicyclo[2.1.1]hexane
CID 70081633
(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947407
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171944243) is (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is COc1ccccc1C(=O)C1CC2CCC(C1)O2.
What is the InChIKey of (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is MXIFYEGZAJWJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-17-14-5-3-2-4-13(14)15(16)10-8-11-6-7-12(9-10)18-11/h2-5,10-12H,6-9H2,1H3.
What are the key properties of (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171944243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).