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

C24H24N2O4 — CID 10597356

IUPAC1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine
SMILESCOc1ccc([C@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@@H]2C)OCO4)cc1
InChIInChI=1S/C24H24N2O4/c1-15-23(16-8-10-18(27-2)11-9-16)19-12-21-22(29-14-28-21)13-20(19)30-24(15)26-25-17-6-4-3-5-7-17/h3-13,15,23-26H,14H2,1-2H3/t15-,23+,24-/m1/s1
InChIKeyWFBVRMMXMLCJRR-ZNZBMKLDSA-N
MW404.47 g/mol
LogP4.53
Rot. Bonds5

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

1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine (PubChem CID 10597356) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine
PubChem CID10597356
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine
SMILESCOc1ccc([C@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@@H]2C)OCO4)cc1
InChIInChI=1S/C24H24N2O4/c1-15-23(16-8-10-18(27-2)11-9-16)19-12-21-22(29-14-28-21)13-20(19)30-24(15)26-25-17-6-4-3-5-7-17/h3-13,15,23-26H,14H2,1-2H3/t15-,23+,24-/m1/s1
InChIKeyWFBVRMMXMLCJRR-ZNZBMKLDSA-N
XLogP4.53
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
1-[(6S,7R,8S)-8-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92857836
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
(5R,6R,7S)-5-(3,4-dimethoxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
CID 15559453
[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol
CID 171383652
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
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601809
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 7601810
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
8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one
CID 101448223
1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole
CID 25135888
1-[(6S,7R,8S)-8-(2,4-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92855582

Frequently Asked Questions

What is the IUPAC name of 1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine?
The IUPAC name of 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) is 1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine?
The canonical SMILES for 1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine is COc1ccc([C@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@@H]2C)OCO4)cc1.
What is the InChIKey of 1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine?
The InChIKey is WFBVRMMXMLCJRR-ZNZBMKLDSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-23(16-8-10-18(27-2)11-9-16)19-12-21-22(29-14-28-21)13-20(19)30-24(15)26-25-17-6-4-3-5-7-17/h3-13,15,23-26H,14H2,1-2H3/t15-,23+,24-/m1/s1.
What are the key properties of 1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine?
1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine has a molecular weight of 404.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine is sourced from PubChem (CID 10597356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).