2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane

C34H36O8 — CID 10555113

IUPAC2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane
SMILESCOc1ccc(-c2ccc(-c3ccc(OC)c(OC)c3C3OCCCO3)c3ccccc23)c(C2OCCCO2)c1OC
InChIInChI=1S/C34H36O8/c1-35-27-15-13-25(29(31(27)37-3)33-39-17-7-18-40-33)23-11-12-24(22-10-6-5-9-21(22)23)26-14-16-28(36-2)32(38-4)30(26)34-41-19-8-20-42-34/h5-6,9-16,33-34H,7-8,17-20H2,1-4H3
InChIKeyAUGTWTBHYUTNRG-UHFFFAOYSA-N
MW572.65 g/mol
LogP7.08
Rot. Bonds8

About 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane

2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane (PubChem CID 10555113) has the molecular formula C34H36O8 and a molecular weight of 572.65 g/mol. Its IUPAC name is 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane
PubChem CID10555113
Molecular FormulaC34H36O8
Molecular Weight572.65 g/mol
Exact Mass572.24
IUPAC Name2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane
SMILESCOc1ccc(-c2ccc(-c3ccc(OC)c(OC)c3C3OCCCO3)c3ccccc23)c(C2OCCCO2)c1OC
InChIInChI=1S/C34H36O8/c1-35-27-15-13-25(29(31(27)37-3)33-39-17-7-18-40-33)23-11-12-24(22-10-6-5-9-21(22)23)26-14-16-28(36-2)32(38-4)30(26)34-41-19-8-20-42-34/h5-6,9-16,33-34H,7-8,17-20H2,1-4H3
InChIKeyAUGTWTBHYUTNRG-UHFFFAOYSA-N
XLogP7.08
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.65
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane with MolForge

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Related Compounds

1-methoxynaphthalene;oxetane
CID 90030663
7,8-dimethoxy-1H-isochromen-4-one
CID 174773303
3-hydroxy-4,5-dimethoxy-2-phenyl-3H-isoindol-1-one
CID 139217737
N-[3-(1,3-dioxan-2-yl)phenyl]-4-methoxynaphthalene-1-sulfonamide
CID 4691817
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline
CID 169416361
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 129365943
2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane
CID 170874319
2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
CID 165356371
2-[2-(2,6-dimethoxyphenoxy)ethyl]-1,3-dioxane
CID 66473547
[2-(1,3-dioxan-2-yl)-6-methoxyphenyl] trifluoromethanesulfonate
CID 135016339

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane?
The IUPAC name of 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane (CID 10555113) is 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane.
What is the SMILES notation for 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane?
The canonical SMILES for 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane is COc1ccc(-c2ccc(-c3ccc(OC)c(OC)c3C3OCCCO3)c3ccccc23)c(C2OCCCO2)c1OC.
What is the InChIKey of 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane?
The InChIKey is AUGTWTBHYUTNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O8/c1-35-27-15-13-25(29(31(27)37-3)33-39-17-7-18-40-33)23-11-12-24(22-10-6-5-9-21(22)23)26-14-16-28(36-2)32(38-4)30(26)34-41-19-8-20-42-34/h5-6,9-16,33-34H,7-8,17-20H2,1-4H3.
What are the key properties of 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane?
2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane has a molecular weight of 572.65 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane is sourced from PubChem (CID 10555113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).