(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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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).