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

C21H24O7 — CID 153315870

IUPAC(6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
SMILESCOc1ccc([C@@H]2c3cc4c(cc3O[C@](C)(O)[C@H]2C)OCO4)c(OC)c1OC
InChIInChI=1S/C21H24O7/c1-11-18(12-6-7-14(23-3)20(25-5)19(12)24-4)13-8-16-17(27-10-26-16)9-15(13)28-21(11,2)22/h6-9,11,18,22H,10H2,1-5H3/t11-,18+,21-/m0/s1
InChIKeyRFJNGGPROOMCLU-ZHXKBUHHSA-N
MW388.42 g/mol
LogP3.31
Rot. Bonds4

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

(6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol (PubChem CID 153315870) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is (6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol.

Molecular Properties

Compound Name(6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
PubChem CID153315870
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name(6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
SMILESCOc1ccc([C@@H]2c3cc4c(cc3O[C@](C)(O)[C@H]2C)OCO4)c(OC)c1OC
InChIInChI=1S/C21H24O7/c1-11-18(12-6-7-14(23-3)20(25-5)19(12)24-4)13-8-16-17(27-10-26-16)9-15(13)28-21(11,2)22/h6-9,11,18,22H,10H2,1-5H3/t11-,18+,21-/m0/s1
InChIKeyRFJNGGPROOMCLU-ZHXKBUHHSA-N
XLogP3.31
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
(6R,7R,8S)-8-(2,5-dimethoxyphenyl)-6-methoxy-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 40595758
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
8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
(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
(1R,12R)-16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
CID 22296258
(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
(6S,7S,8S)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 11909232
(6S,7R,8S)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 11909210
(10S)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydro-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 42549341
(6R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 6993170
1-[(6R,7S,8S)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601886

Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol?
The IUPAC name of (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) is (6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol.
What is the SMILES notation for (6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol?
The canonical SMILES for (6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol is COc1ccc([C@@H]2c3cc4c(cc3O[C@](C)(O)[C@H]2C)OCO4)c(OC)c1OC.
What is the InChIKey of (6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol?
The InChIKey is RFJNGGPROOMCLU-ZHXKBUHHSA-N. The full InChI is InChI=1S/C21H24O7/c1-11-18(12-6-7-14(23-3)20(25-5)19(12)24-4)13-8-16-17(27-10-26-16)9-15(13)28-21(11,2)22/h6-9,11,18,22H,10H2,1-5H3/t11-,18+,21-/m0/s1.
What are the key properties of (6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol?
(6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol has a molecular weight of 388.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol is sourced from PubChem (CID 153315870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).