6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one

C27H25NO7 — CID 139985414

IUPAC6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one
SMILESCON=C1c2cc(OC)c(OCc3ccccc3)cc2C(=O)CC1c1cc2c(cc1OC)OCO2
InChIInChI=1S/C27H25NO7/c1-30-22-13-26-25(34-15-35-26)11-18(22)19-9-21(29)17-10-24(33-14-16-7-5-4-6-8-16)23(31-2)12-20(17)27(19)28-32-3/h4-8,10-13,19H,9,14-15H2,1-3H3
InChIKeyVPKGJGHXDFDHGF-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.73
Rot. Bonds7

About 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one

6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one (PubChem CID 139985414) has the molecular formula C27H25NO7 and a molecular weight of 475.50 g/mol. Its IUPAC name is 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one
PubChem CID139985414
Molecular FormulaC27H25NO7
Molecular Weight475.50 g/mol
Exact Mass475.16
IUPAC Name6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one
SMILESCON=C1c2cc(OC)c(OCc3ccccc3)cc2C(=O)CC1c1cc2c(cc1OC)OCO2
InChIInChI=1S/C27H25NO7/c1-30-22-13-26-25(34-15-35-26)11-18(22)19-9-21(29)17-10-24(33-14-16-7-5-4-6-8-16)23(31-2)12-20(17)27(19)28-32-3/h4-8,10-13,19H,9,14-15H2,1-3H3
InChIKeyVPKGJGHXDFDHGF-UHFFFAOYSA-N
XLogP4.73
TPSA84.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 156760249
5-(4-hydroxy-3,5-dimethoxyphenyl)-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 14888545
(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544355
[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol
CID 10948495
1-(1,3-benzodioxol-5-yl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5227811
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]oxolan-2-one
CID 10874437
5-(azidomethyl)-6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxole
CID 11058208
7-phenylmethoxy-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)-2H-chromene
CID 11005099
(4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 163648230
(8R)-8-[3-methoxy-4-(2-phenylethoxy)phenyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 99994988
5-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol
CID 23539254

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one?
The IUPAC name of 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one (CID 139985414) is 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one is CON=C1c2cc(OC)c(OCc3ccccc3)cc2C(=O)CC1c1cc2c(cc1OC)OCO2.
What is the InChIKey of 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one?
The InChIKey is VPKGJGHXDFDHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO7/c1-30-22-13-26-25(34-15-35-26)11-18(22)19-9-21(29)17-10-24(33-14-16-7-5-4-6-8-16)23(31-2)12-20(17)27(19)28-32-3/h4-8,10-13,19H,9,14-15H2,1-3H3.
What are the key properties of 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one?
6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one has a molecular weight of 475.50 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 139985414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).