4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

C16H22O6 — CID 134941738

IUPAC4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCOc1ccc(OC2OC(C)C(O)C3OC(C)(C)OC23)cc1
InChIInChI=1S/C16H22O6/c1-9-12(17)13-14(22-16(2,3)21-13)15(19-9)20-11-7-5-10(18-4)6-8-11/h5-9,12-15,17H,1-4H3
InChIKeyMXQLJNAJBLBFPS-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.70
Rot. Bonds3

About 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (PubChem CID 134941738) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
PubChem CID134941738
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCOc1ccc(OC2OC(C)C(O)C3OC(C)(C)OC23)cc1
InChIInChI=1S/C16H22O6/c1-9-12(17)13-14(22-16(2,3)21-13)15(19-9)20-11-7-5-10(18-4)6-8-11/h5-9,12-15,17H,1-4H3
InChIKeyMXQLJNAJBLBFPS-UHFFFAOYSA-N
XLogP1.70
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS,6S)-4-(hydroxymethyl)-6-(4-methoxyphenoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 121233814
(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
(3aS,4R,6S)-6-methoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 163285390
(3aR,7S,7aR)-2,2,6-trimethyl-4-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 170400106
(2R,3S,4S,6R)-6-[(2R,3R,4R,6S)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-3-[(4-methoxyphenyl)methoxy]-2-methyloxan-4-yl]oxy-3-[(4-methoxyphenyl)methoxy]-2-methyloxan-4-ol
CID 122398675
[(3aS,4R,6S,7R,7aS)-7-acetyloxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl acetate
CID 163339385
N-[2-[4-[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153365052
N-[(4aS,6R,7S,8S,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 42560137
N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7164162
N-[(4aR,6S,7S,8S,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7164160
N-[(4aR,6R,7R,8R,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11887442
(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
CID 70793169

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The IUPAC name of 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (CID 134941738) is 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The canonical SMILES for 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is COc1ccc(OC2OC(C)C(O)C3OC(C)(C)OC23)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The InChIKey is MXQLJNAJBLBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O6/c1-9-12(17)13-14(22-16(2,3)21-13)15(19-9)20-11-7-5-10(18-4)6-8-11/h5-9,12-15,17H,1-4H3.
What are the key properties of 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol has a molecular weight of 310.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is sourced from PubChem (CID 134941738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).