6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene

C24H20Br2O4 — CID 10839989

IUPAC6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
SMILESCOCOc1ccc2cc(Br)ccc2c1-c1c(OCOC)ccc2cc(Br)ccc12
InChIInChI=1S/C24H20Br2O4/c1-27-13-29-21-9-3-15-11-17(25)5-7-19(15)23(21)24-20-8-6-18(26)12-16(20)4-10-22(24)30-14-28-2/h3-12H,13-14H2,1-2H3
InChIKeyUPLLZDVWXACTEG-UHFFFAOYSA-N
MW532.23 g/mol
LogP7.15
Rot. Bonds7

About 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene

6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene (PubChem CID 10839989) has the molecular formula C24H20Br2O4 and a molecular weight of 532.23 g/mol. Its IUPAC name is 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene.

Molecular Properties

Compound Name6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
PubChem CID10839989
Molecular FormulaC24H20Br2O4
Molecular Weight532.23 g/mol
Exact Mass529.97
IUPAC Name6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
SMILESCOCOc1ccc2cc(Br)ccc2c1-c1c(OCOC)ccc2cc(Br)ccc12
InChIInChI=1S/C24H20Br2O4/c1-27-13-29-21-9-3-15-11-17(25)5-7-19(15)23(21)24-20-8-6-18(26)12-16(20)4-10-22(24)30-14-28-2/h3-12H,13-14H2,1-2H3
InChIKeyUPLLZDVWXACTEG-UHFFFAOYSA-N
XLogP7.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene?
The IUPAC name of 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene (CID 10839989) is 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene.
What is the SMILES notation for 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene?
The canonical SMILES for 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene is COCOc1ccc2cc(Br)ccc2c1-c1c(OCOC)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene?
The InChIKey is UPLLZDVWXACTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2O4/c1-27-13-29-21-9-3-15-11-17(25)5-7-19(15)23(21)24-20-8-6-18(26)12-16(20)4-10-22(24)30-14-28-2/h3-12H,13-14H2,1-2H3.
What are the key properties of 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene?
6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene has a molecular weight of 532.23 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene is sourced from PubChem (CID 10839989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).