4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene

C30H32Br2O4 — CID 11124947

IUPAC4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene
SMILESCOc1cc(C)cc2c(Br)cc(-c3cc(Br)c4cc(C)cc(OC)c4c3OC(C)C)c(OC(C)C)c12
InChIInChI=1S/C30H32Br2O4/c1-15(2)35-29-19(13-23(31)21-9-17(5)11-25(33-7)27(21)29)20-14-24(32)22-10-18(6)12-26(34-8)28(22)30(20)36-16(3)4/h9-16H,1-8H3
InChIKeyGGZICDYFYDEPOF-UHFFFAOYSA-N
MW616.39 g/mol
LogP9.39
Rot. Bonds7

About 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene

4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene (PubChem CID 11124947) has the molecular formula C30H32Br2O4 and a molecular weight of 616.39 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene
PubChem CID11124947
Molecular FormulaC30H32Br2O4
Molecular Weight616.39 g/mol
Exact Mass614.07
IUPAC Name4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene
SMILESCOc1cc(C)cc2c(Br)cc(-c3cc(Br)c4cc(C)cc(OC)c4c3OC(C)C)c(OC(C)C)c12
InChIInChI=1S/C30H32Br2O4/c1-15(2)35-29-19(13-23(31)21-9-17(5)11-25(33-7)27(21)29)20-14-24(32)22-10-18(6)12-26(34-8)28(22)30(20)36-16(3)4/h9-16H,1-8H3
InChIKeyGGZICDYFYDEPOF-UHFFFAOYSA-N
XLogP9.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.39
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene?
The IUPAC name of 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene (CID 11124947) is 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene.
What is the SMILES notation for 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene?
The canonical SMILES for 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene is COc1cc(C)cc2c(Br)cc(-c3cc(Br)c4cc(C)cc(OC)c4c3OC(C)C)c(OC(C)C)c12.
What is the InChIKey of 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene?
The InChIKey is GGZICDYFYDEPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Br2O4/c1-15(2)35-29-19(13-23(31)21-9-17(5)11-25(33-7)27(21)29)20-14-24(32)22-10-18(6)12-26(34-8)28(22)30(20)36-16(3)4/h9-16H,1-8H3.
What are the key properties of 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene?
4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene has a molecular weight of 616.39 g/mol, XLogP of 9.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene is sourced from PubChem (CID 11124947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).