4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol

C19H22N2O6 — CID 92557020

IUPAC4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@@H]2c3cc4c(cc3O[C@H](NN)[C@@H]2C)OCO4)cc(OC)c1O
InChIInChI=1S/C19H22N2O6/c1-9-17(10-4-15(23-2)18(22)16(5-10)24-3)11-6-13-14(26-8-25-13)7-12(11)27-19(9)21-20/h4-7,9,17,19,21-22H,8,20H2,1-3H3/t9-,17-,19+/m1/s1
InChIKeySWKDOMTZLKUFNX-BJBLRFPOSA-N
MW374.39 g/mol
LogP2.09
Rot. Bonds4

About 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol

4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol (PubChem CID 92557020) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
PubChem CID92557020
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@@H]2c3cc4c(cc3O[C@H](NN)[C@@H]2C)OCO4)cc(OC)c1O
InChIInChI=1S/C19H22N2O6/c1-9-17(10-4-15(23-2)18(22)16(5-10)24-3)11-6-13-14(26-8-25-13)7-12(11)27-19(9)21-20/h4-7,9,17,19,21-22H,8,20H2,1-3H3/t9-,17-,19+/m1/s1
InChIKeySWKDOMTZLKUFNX-BJBLRFPOSA-N
XLogP2.09
TPSA104.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

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
2-aminooxy-6-methoxy-4-(7-methyl-6-piperidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol
CID 142018930
2-[[(6S,7S,8S)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]ethanol
CID 95907665
(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
(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
4-[(6S,7R,8S)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine
CID 92852148
1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine
CID 10597356
(6R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 6993170
(5R,6R,7S)-5-(3,4-dimethoxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
CID 15559453
5-(4-hydroxy-3,5-dimethoxyphenyl)-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 14888545
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
N-[(7S)-6-formyl-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-8-yl]-2-(phosphanylamino)acetamide
CID 89193573

Frequently Asked Questions

What is the IUPAC name of 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol?
The IUPAC name of 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) is 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol is COc1cc([C@@H]2c3cc4c(cc3O[C@H](NN)[C@@H]2C)OCO4)cc(OC)c1O.
What is the InChIKey of 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol?
The InChIKey is SWKDOMTZLKUFNX-BJBLRFPOSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-9-17(10-4-15(23-2)18(22)16(5-10)24-3)11-6-13-14(26-8-25-13)7-12(11)27-19(9)21-20/h4-7,9,17,19,21-22H,8,20H2,1-3H3/t9-,17-,19+/m1/s1.
What are the key properties of 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol?
4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol has a molecular weight of 374.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S,7R,8R)-6-hydrazinyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 92557020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).