2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene

C36H28Br2O2 — CID 11227562

IUPAC2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
SMILESBrCc1ccc(COc2ccc3ccccc3c2-c2c(OCc3ccc(CBr)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C36H28Br2O2/c37-21-25-9-13-27(14-10-25)23-39-33-19-17-29-5-1-3-7-31(29)35(33)36-32-8-4-2-6-30(32)18-20-34(36)40-24-28-15-11-26(22-38)12-16-28/h1-20H,21-24H2
InChIKeyMYIAEZZSMBOQNR-UHFFFAOYSA-N
MW652.43 g/mol
LogP10.61
Rot. Bonds9

About 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene

2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene (PubChem CID 11227562) has the molecular formula C36H28Br2O2 and a molecular weight of 652.43 g/mol. Its IUPAC name is 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
PubChem CID11227562
Molecular FormulaC36H28Br2O2
Molecular Weight652.43 g/mol
Exact Mass650.05
IUPAC Name2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
SMILESBrCc1ccc(COc2ccc3ccccc3c2-c2c(OCc3ccc(CBr)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C36H28Br2O2/c37-21-25-9-13-27(14-10-25)23-39-33-19-17-29-5-1-3-7-31(29)35(33)36-32-8-4-2-6-30(32)18-20-34(36)40-24-28-15-11-26(22-38)12-16-28/h1-20H,21-24H2
InChIKeyMYIAEZZSMBOQNR-UHFFFAOYSA-N
XLogP10.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.43
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
CID 16689049
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
CID 101190162
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene
CID 171486262
dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 23421218
2-(2-phenylmethoxynaphthalen-1-yl)-1,3-benzothiazole
CID 126198654
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene
CID 63534211
2,4-dimethyl-1-[1-[2-(naphthalen-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]phosphetane
CID 70947771

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene?
The IUPAC name of 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene (CID 11227562) is 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene is BrCc1ccc(COc2ccc3ccccc3c2-c2c(OCc3ccc(CBr)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene?
The InChIKey is MYIAEZZSMBOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28Br2O2/c37-21-25-9-13-27(14-10-25)23-39-33-19-17-29-5-1-3-7-31(29)35(33)36-32-8-4-2-6-30(32)18-20-34(36)40-24-28-15-11-26(22-38)12-16-28/h1-20H,21-24H2.
What are the key properties of 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene?
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene has a molecular weight of 652.43 g/mol, XLogP of 10.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 11227562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).