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

C15H18O2 — CID 171950826

IUPAC(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1ccc(C(=O)C2CC3CCC(C2)O3)cc1
InChIInChI=1S/C15H18O2/c1-10-2-4-11(5-3-10)15(16)12-8-13-6-7-14(9-12)17-13/h2-5,12-14H,6-9H2,1H3
InChIKeyRSRALVVAUXDNJC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.14
Rot. Bonds2

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

(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171950826) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171950826
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1ccc(C(=O)C2CC3CCC(C2)O3)cc1
InChIInChI=1S/C15H18O2/c1-10-2-4-11(5-3-10)15(16)12-8-13-6-7-14(9-12)17-13/h2-5,12-14H,6-9H2,1H3
InChIKeyRSRALVVAUXDNJC-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171943649
(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950409
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
[3-methyl-4-(trifluoromethyl)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171949890
(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171940676
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone
CID 171938724
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
3-(4-methylbenzoyl)cyclopentan-1-one
CID 79639548

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171950826) is (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is Cc1ccc(C(=O)C2CC3CCC(C2)O3)cc1.
What is the InChIKey of (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is RSRALVVAUXDNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-2-4-11(5-3-10)15(16)12-8-13-6-7-14(9-12)17-13/h2-5,12-14H,6-9H2,1H3.
What are the key properties of (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171950826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).