(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane

C21H26O6 — CID 10809404

IUPAC(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane
SMILESCOc1ccc([C@@H]2OC(C)(C)O[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H26O6/c1-21(2)26-18(13-7-9-15(22-3)10-8-13)19(27-21)14-11-16(23-4)20(25-6)17(12-14)24-5/h7-12,18-19H,1-6H3/t18-,19-/m0/s1
InChIKeyFJYYITFLCGCMSO-OALUTQOASA-N
MW374.43 g/mol
LogP4.29
Rot. Bonds6

About (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane

(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane (PubChem CID 10809404) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane
PubChem CID10809404
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane
SMILESCOc1ccc([C@@H]2OC(C)(C)O[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H26O6/c1-21(2)26-18(13-7-9-15(22-3)10-8-13)19(27-21)14-11-16(23-4)20(25-6)17(12-14)24-5/h7-12,18-19H,1-6H3/t18-,19-/m0/s1
InChIKeyFJYYITFLCGCMSO-OALUTQOASA-N
XLogP4.29
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane with MolForge

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Related Compounds

4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398
methyl (4R,5S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10635449
methyl (4S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 59924048
[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12504152
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
(3R,3aS,6S,6aS)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 134715183
1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18427662
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223
(3S,3aS,6R,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 163081076
(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran
CID 164668460
2-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)aziridine
CID 175257882
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane (CID 10809404) is (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane is COc1ccc([C@@H]2OC(C)(C)O[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane?
The InChIKey is FJYYITFLCGCMSO-OALUTQOASA-N. The full InChI is InChI=1S/C21H26O6/c1-21(2)26-18(13-7-9-15(22-3)10-8-13)19(27-21)14-11-16(23-4)20(25-6)17(12-14)24-5/h7-12,18-19H,1-6H3/t18-,19-/m0/s1.
What are the key properties of (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane?
(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane has a molecular weight of 374.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 10809404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).