(2R)-2-(4-ethylphenyl)oxan-4-one

C13H16O2 — CID 45094741

IUPAC(2R)-2-(4-ethylphenyl)oxan-4-one
SMILESCCc1ccc([C@H]2CC(=O)CCO2)cc1
InChIInChI=1S/C13H16O2/c1-2-10-3-5-11(6-4-10)13-9-12(14)7-8-15-13/h3-6,13H,2,7-9H2,1H3/t13-/m1/s1
InChIKeyOGXDEGNHWAIMKY-CYBMUJFWSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds2

About (2R)-2-(4-ethylphenyl)oxan-4-one

(2R)-2-(4-ethylphenyl)oxan-4-one (PubChem CID 45094741) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-2-(4-ethylphenyl)oxan-4-one.

Molecular Properties

Compound Name(2R)-2-(4-ethylphenyl)oxan-4-one
PubChem CID45094741
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2R)-2-(4-ethylphenyl)oxan-4-one
SMILESCCc1ccc([C@H]2CC(=O)CCO2)cc1
InChIInChI=1S/C13H16O2/c1-2-10-3-5-11(6-4-10)13-9-12(14)7-8-15-13/h3-6,13H,2,7-9H2,1H3/t13-/m1/s1
InChIKeyOGXDEGNHWAIMKY-CYBMUJFWSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)oxirane
CID 10374595
2-(6-bromo-3-pyridinyl)oxan-4-one
CID 172993602
(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane
CID 22838647
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
4-(4-ethylphenyl)oxane-2,6-dione
CID 82127294
5-ethyl-2-(4-ethylphenyl)-5-methyl-1,4-oxazepane
CID 114154365
3-[(5R)-5-(4-ethylphenyl)oxolan-3-yl]piperidine-2,6-dione
CID 167071306
ethane;4-(4-ethylphenyl)oxane
CID 145044637
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
5-(4-ethylphenyl)oxolane-2-carbaldehyde
CID 130584532
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673641

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylphenyl)oxan-4-one?
The IUPAC name of (2R)-2-(4-ethylphenyl)oxan-4-one (CID 45094741) is (2R)-2-(4-ethylphenyl)oxan-4-one.
What is the SMILES notation for (2R)-2-(4-ethylphenyl)oxan-4-one?
The canonical SMILES for (2R)-2-(4-ethylphenyl)oxan-4-one is CCc1ccc([C@H]2CC(=O)CCO2)cc1.
What is the InChIKey of (2R)-2-(4-ethylphenyl)oxan-4-one?
The InChIKey is OGXDEGNHWAIMKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-10-3-5-11(6-4-10)13-9-12(14)7-8-15-13/h3-6,13H,2,7-9H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(4-ethylphenyl)oxan-4-one?
(2R)-2-(4-ethylphenyl)oxan-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylphenyl)oxan-4-one is sourced from PubChem (CID 45094741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).