6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione

C19H18O4 — CID 15054377

IUPAC6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
SMILESCC1(c2ccc(OCc3ccccc3)cc2)OC(=O)CCC1=O
InChIInChI=1S/C19H18O4/c1-19(17(20)11-12-18(21)23-19)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3
InChIKeyRZIHOLAMMNNLDF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.39
Rot. Bonds4

About 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione

6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione (PubChem CID 15054377) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione.

Molecular Properties

Compound Name6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
PubChem CID15054377
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
SMILESCC1(c2ccc(OCc3ccccc3)cc2)OC(=O)CCC1=O
InChIInChI=1S/C19H18O4/c1-19(17(20)11-12-18(21)23-19)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3
InChIKeyRZIHOLAMMNNLDF-UHFFFAOYSA-N
XLogP3.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-iodo-4-phenylmethoxybenzene;2-methyl-2-phenyl-1,3-dioxane-4,6-dione
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1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
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CID 58095577
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
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3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11808654
(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one
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CID 59354846

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione?
The IUPAC name of 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione (CID 15054377) is 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione.
What is the SMILES notation for 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione?
The canonical SMILES for 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione is CC1(c2ccc(OCc3ccccc3)cc2)OC(=O)CCC1=O.
What is the InChIKey of 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione?
The InChIKey is RZIHOLAMMNNLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-19(17(20)11-12-18(21)23-19)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3.
What are the key properties of 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione?
6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione has a molecular weight of 310.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione is sourced from PubChem (CID 15054377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).