1-phenyl-2-(6-phenyloxan-2-yl)ethanone

C19H20O2 — CID 102133371

IUPAC1-phenyl-2-(6-phenyloxan-2-yl)ethanone
SMILESO=C(CC1CCCC(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(15-8-3-1-4-9-15)14-17-12-7-13-19(21-17)16-10-5-2-6-11-16/h1-6,8-11,17,19H,7,12-14H2
InChIKeyRRTOIGPIEOOOIM-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.57
Rot. Bonds4

About 1-phenyl-2-(6-phenyloxan-2-yl)ethanone

1-phenyl-2-(6-phenyloxan-2-yl)ethanone (PubChem CID 102133371) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-phenyl-2-(6-phenyloxan-2-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(6-phenyloxan-2-yl)ethanone
PubChem CID102133371
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-phenyl-2-(6-phenyloxan-2-yl)ethanone
SMILESO=C(CC1CCCC(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(15-8-3-1-4-9-15)14-17-12-7-13-19(21-17)16-10-5-2-6-11-16/h1-6,8-11,17,19H,7,12-14H2
InChIKeyRRTOIGPIEOOOIM-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[(2R,6S)-6-phenyloxan-2-yl]ethanone
CID 132849136
2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone
CID 138975662
2-[(2S,6R)-6-(4-methoxyphenyl)oxan-2-yl]-1-(4-phenylmethoxyphenyl)ethanone
CID 71726184
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
(2R,6R)-2-phenyl-6-prop-1-en-2-yloxane
CID 25232129
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006
1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine
CID 164609782
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
1-phenyl-2-[(2R,4R)-2-(2-phenylethyl)-1,3-dioxan-4-yl]ethanone
CID 122379036
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
2-[(6R)-6-phenyloxan-2-yl]propan-2-ol
CID 102038459
2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone
CID 135029704

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(6-phenyloxan-2-yl)ethanone?
The IUPAC name of 1-phenyl-2-(6-phenyloxan-2-yl)ethanone (CID 102133371) is 1-phenyl-2-(6-phenyloxan-2-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(6-phenyloxan-2-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(6-phenyloxan-2-yl)ethanone is O=C(CC1CCCC(c2ccccc2)O1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(6-phenyloxan-2-yl)ethanone?
The InChIKey is RRTOIGPIEOOOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(15-8-3-1-4-9-15)14-17-12-7-13-19(21-17)16-10-5-2-6-11-16/h1-6,8-11,17,19H,7,12-14H2.
What are the key properties of 1-phenyl-2-(6-phenyloxan-2-yl)ethanone?
1-phenyl-2-(6-phenyloxan-2-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(6-phenyloxan-2-yl)ethanone is sourced from PubChem (CID 102133371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).