(6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol

C19H20O6 — CID 7601831

IUPAC(6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
SMILESCOc1cccc([C@H]2c3cc4c(cc3O[C@@](C)(O)[C@@H]2C)OCO4)c1O
InChIInChI=1S/C19H20O6/c1-10-17(11-5-4-6-13(22-3)18(11)20)12-7-15-16(24-9-23-15)8-14(12)25-19(10,2)21/h4-8,10,17,20-21H,9H2,1-3H3/t10-,17+,19-/m1/s1
InChIKeyXVACPSXAAOKKMX-XVWMFJGMSA-N
MW344.36 g/mol
LogP3.00
Rot. Bonds2

About (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol

(6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol (PubChem CID 7601831) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
PubChem CID7601831
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
SMILESCOc1cccc([C@H]2c3cc4c(cc3O[C@@](C)(O)[C@@H]2C)OCO4)c1O
InChIInChI=1S/C19H20O6/c1-10-17(11-5-4-6-13(22-3)18(11)20)12-7-15-16(24-9-23-15)8-14(12)25-19(10,2)21/h4-8,10,17,20-21H,9H2,1-3H3/t10-,17+,19-/m1/s1
InChIKeyXVACPSXAAOKKMX-XVWMFJGMSA-N
XLogP3.00
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 153315870
2-(6,7-dimethyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol;propane
CID 142018936
2-methoxy-6-[(6S,7S,8R)-7-methyl-6-morpholin-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol
CID 92857791
2-[(6S,7R,8R)-7-ethyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-6-methoxyphenol
CID 95906994
(6R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 6993170
(6R,7R,8S)-8-(2,5-dimethoxyphenyl)-6-methoxy-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 40595758
8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
CID 92557020
2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138
(3S,7R,8R)-8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-3-ol
CID 11894211
(5aS,9aR,10S)-10-(3,4,5-trimethoxyphenyl)-6,7,8,9,9a,10-hexahydro-[1,3]dioxolo[4,5-b]xanthen-5a-ol
CID 11924116
4-[(6S,7R,8R)-6-(diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
CID 94904290

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol?
The IUPAC name of (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol (CID 7601831) is (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol.
What is the SMILES notation for (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol?
The canonical SMILES for (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol is COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)(O)[C@@H]2C)OCO4)c1O.
What is the InChIKey of (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol?
The InChIKey is XVACPSXAAOKKMX-XVWMFJGMSA-N. The full InChI is InChI=1S/C19H20O6/c1-10-17(11-5-4-6-13(22-3)18(11)20)12-7-15-16(24-9-23-15)8-14(12)25-19(10,2)21/h4-8,10,17,20-21H,9H2,1-3H3/t10-,17+,19-/m1/s1.
What are the key properties of (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol?
(6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol has a molecular weight of 344.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-(2-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol is sourced from PubChem (CID 7601831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).