2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one

C18H18O4 — CID 11808654

IUPAC2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(c2ccc(OCc3ccccc3)cc2)O1
InChIInChI=1S/C18H18O4/c1-18(2)21-16(17(19)22-18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
InChIKeyFZGVYIJYPVMENR-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.62
Rot. Bonds4

About 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one

2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one (PubChem CID 11808654) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
PubChem CID11808654
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(c2ccc(OCc3ccccc3)cc2)O1
InChIInChI=1S/C18H18O4/c1-18(2)21-16(17(19)22-18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
InChIKeyFZGVYIJYPVMENR-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450
dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate
CID 101093466
(3aS,4R,8R,8aS)-8-benzyl-2,2-dimethyl-4-[(4-phenylmethoxyphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 59131827
3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
CID 81416557
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
CID 15054377
4-bromo-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one
CID 59354846

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one?
The IUPAC name of 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one (CID 11808654) is 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one.
What is the SMILES notation for 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one?
The canonical SMILES for 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one is CC1(C)OC(=O)C(c2ccc(OCc3ccccc3)cc2)O1.
What is the InChIKey of 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one?
The InChIKey is FZGVYIJYPVMENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-18(2)21-16(17(19)22-18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one?
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one has a molecular weight of 298.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 11808654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).