(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one

C17H20O6 — CID 132579704

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one
SMILESCOC1=C(c2ccc(OC)cc2)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C17H20O6/c1-17(2)21-9-12(23-17)14-15(20-4)13(16(18)22-14)10-5-7-11(19-3)8-6-10/h5-8,12,14H,9H2,1-4H3/t12-,14+/m0/s1
InChIKeyOYQVDNPVSGSLKY-GXTWGEPZSA-N
MW320.34 g/mol
LogP2.13
Rot. Bonds4

About (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one (PubChem CID 132579704) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one
PubChem CID132579704
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one
SMILESCOC1=C(c2ccc(OC)cc2)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C17H20O6/c1-17(2)21-9-12(23-17)14-15(20-4)13(16(18)22-14)10-5-7-11(19-3)8-6-10/h5-8,12,14H,9H2,1-4H3/t12-,14+/m0/s1
InChIKeyOYQVDNPVSGSLKY-GXTWGEPZSA-N
XLogP2.13
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-5-oxo-2H-furan-4-yl]benzonitrile
CID 132579709
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethoxy]-2H-furan-5-one
CID 28952075
(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 10402014
3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2H-furan-5-one
CID 129207141
4-[bis(dimethylamino)phosphoryloxy]-3-butoxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2H-furan-5-one
CID 70814539
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one
CID 54676508
(2S)-3-[(4-bromophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2H-furan-5-one
CID 28951440
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-4-methyl-2H-furan-5-one
CID 118358907
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-[[5-(hydroxymethyl)-4-methoxy-2-nitrophenyl]methoxy]-2H-furan-5-one
CID 140936982
[(2S)-3-(4-chlorophenyl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-4-yl] 2,2-dimethylpropanoate
CID 118268448
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxyphenyl)sulfonyl-2H-quinoline-3-carbaldehyde
CID 101263515
[(2R)-4-acetyloxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-3-yl]oxymethyl acetate
CID 132565115

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one (CID 132579704) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one is COC1=C(c2ccc(OC)cc2)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one?
The InChIKey is OYQVDNPVSGSLKY-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H20O6/c1-17(2)21-9-12(23-17)14-15(20-4)13(16(18)22-14)10-5-7-11(19-3)8-6-10/h5-8,12,14H,9H2,1-4H3/t12-,14+/m0/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one has a molecular weight of 320.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-(4-methoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 132579704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).