3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene

C24H20Br2O4 — CID 12996399

IUPAC3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
SMILESCOCOc1c(Br)cc2ccccc2c1-c1c(OCOC)c(Br)cc2ccccc12
InChIInChI=1S/C24H20Br2O4/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2/h3-12H,13-14H2,1-2H3
InChIKeyGBVXBVQRXNQXPL-UHFFFAOYSA-N
MW532.23 g/mol
LogP7.15
Rot. Bonds7

About 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene

3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene (PubChem CID 12996399) has the molecular formula C24H20Br2O4 and a molecular weight of 532.23 g/mol. Its IUPAC name is 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene.

Molecular Properties

Compound Name3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
PubChem CID12996399
Molecular FormulaC24H20Br2O4
Molecular Weight532.23 g/mol
Exact Mass529.97
IUPAC Name3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
SMILESCOCOc1c(Br)cc2ccccc2c1-c1c(OCOC)c(Br)cc2ccccc12
InChIInChI=1S/C24H20Br2O4/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2/h3-12H,13-14H2,1-2H3
InChIKeyGBVXBVQRXNQXPL-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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Related Compounds

CID 394170
CID 394170
CID 10839989
CID 10839989
CID 10959708
CID 10959708
CID 3052495
CID 3052495
CID 1818744
CID 1818744
CID 129119409
CID 129119409
CID 10743041
CID 10743041
CID 87514725
CID 87514725
CID 135067953
CID 135067953
CID 11330938
CID 11330938
CID 71442464
CID 71442464
CID 2794073
CID 2794073

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene?
The IUPAC name of 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene (CID 12996399) is 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene.
What is the SMILES notation for 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene?
The canonical SMILES for 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene is COCOc1c(Br)cc2ccccc2c1-c1c(OCOC)c(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene?
The InChIKey is GBVXBVQRXNQXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2O4/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2/h3-12H,13-14H2,1-2H3.
What are the key properties of 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene?
3-bromo-1-[3-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 3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene is sourced from PubChem (CID 12996399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).