(4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane

C25H28O7 — CID 11091460

IUPAC(4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESCOc1ccc(COc2coc([C@@H]3COC(C)(C)O3)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O7/c1-25(2)31-16-22(32-25)24-23(29-14-18-7-11-20(27-4)12-8-18)21(15-30-24)28-13-17-5-9-19(26-3)10-6-17/h5-12,15,22H,13-14,16H2,1-4H3/t22-/m0/s1
InChIKeyQEJDCUHWNPORMU-QFIPXVFZSA-N
MW440.49 g/mol
LogP5.28
Rot. Bonds9

About (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11091460) has the molecular formula C25H28O7 and a molecular weight of 440.49 g/mol. Its IUPAC name is (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11091460
Molecular FormulaC25H28O7
Molecular Weight440.49 g/mol
Exact Mass440.18
IUPAC Name(4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESCOc1ccc(COc2coc([C@@H]3COC(C)(C)O3)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O7/c1-25(2)31-16-22(32-25)24-23(29-14-18-7-11-20(27-4)12-8-18)21(15-30-24)28-13-17-5-9-19(26-3)10-6-17/h5-12,15,22H,13-14,16H2,1-4H3/t22-/m0/s1
InChIKeyQEJDCUHWNPORMU-QFIPXVFZSA-N
XLogP5.28
TPSA68.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 12883136
(4'aS,7'S,7'aR)-7'-[(4-methoxyphenyl)methoxy]-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]
CID 101406718
(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 11185547
2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine
CID 170558457
(3aS,8S,8aR)-5-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-6,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxole-7,8-diol
CID 132969570
(1R,3S,7R,9R)-8-[(4-methoxyphenyl)methoxy]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 11646597
(2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one
CID 139249873
(E)-3-[(4R,5S)-4-[(2R)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2-methylprop-2-en-1-ol
CID 11382948
(3aS,5S,6R,6aS)-6-[(4-methoxyphenyl)methoxy]-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11580196
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
2-chloro-1-isocyanato-3,4-bis[(4-methoxyphenyl)methoxy]benzene
CID 58373949

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane (CID 11091460) is (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane is COc1ccc(COc2coc([C@@H]3COC(C)(C)O3)c2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is QEJDCUHWNPORMU-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28O7/c1-25(2)31-16-22(32-25)24-23(29-14-18-7-11-20(27-4)12-8-18)21(15-30-24)28-13-17-5-9-19(26-3)10-6-17/h5-12,15,22H,13-14,16H2,1-4H3/t22-/m0/s1.
What are the key properties of (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 440.49 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3,4-bis[(4-methoxyphenyl)methoxy]furan-2-yl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11091460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).