1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene

C36H36O6 — CID 71601620

IUPAC1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene
SMILESCOc1cc(-c2c(C)c(C)cc3c(OC)c(OCc4ccccc4)c(OC)cc23)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C36H36O6/c1-23-17-29-28(20-32(39-5)36(34(29)40-6)42-22-26-15-11-8-12-16-26)33(24(23)2)27-18-30(37-3)35(31(19-27)38-4)41-21-25-13-9-7-10-14-25/h7-20H,21-22H2,1-6H3
InChIKeyXKYAQSHABVVJMM-UHFFFAOYSA-N
MW564.68 g/mol
LogP8.32
Rot. Bonds11

About 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene

1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene (PubChem CID 71601620) has the molecular formula C36H36O6 and a molecular weight of 564.68 g/mol. Its IUPAC name is 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene.

Molecular Properties

Compound Name1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene
PubChem CID71601620
Molecular FormulaC36H36O6
Molecular Weight564.68 g/mol
Exact Mass564.25
IUPAC Name1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene
SMILESCOc1cc(-c2c(C)c(C)cc3c(OC)c(OCc4ccccc4)c(OC)cc23)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C36H36O6/c1-23-17-29-28(20-32(39-5)36(34(29)40-6)42-22-26-15-11-8-12-16-26)33(24(23)2)27-18-30(37-3)35(31(19-27)38-4)41-21-25-13-9-7-10-14-25/h7-20H,21-22H2,1-6H3
InChIKeyXKYAQSHABVVJMM-UHFFFAOYSA-N
XLogP8.32
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-methyl-1-phenyl-4-phenylmethoxynaphthalene
CID 170010936
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
CID 140606301
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene
CID 139067170
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110537997
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene?
The IUPAC name of 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene (CID 71601620) is 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene.
What is the SMILES notation for 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene?
The canonical SMILES for 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene is COc1cc(-c2c(C)c(C)cc3c(OC)c(OCc4ccccc4)c(OC)cc23)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene?
The InChIKey is XKYAQSHABVVJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O6/c1-23-17-29-28(20-32(39-5)36(34(29)40-6)42-22-26-15-11-8-12-16-26)33(24(23)2)27-18-30(37-3)35(31(19-27)38-4)41-21-25-13-9-7-10-14-25/h7-20H,21-22H2,1-6H3.
What are the key properties of 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene?
1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene has a molecular weight of 564.68 g/mol, XLogP of 8.32, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene is sourced from PubChem (CID 71601620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).