1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene

C90H60Br18O6 — CID 159146813

IUPAC1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene
SMILESBrc1cc(Br)cc(OCc2ccc3ccccc3c2Br)c1.Brc1ccc(Br)c(OCc2ccc3ccccc3c2Br)c1.Brc1ccc(COc2cc(Br)cc(Br)c2)cc1.Brc1ccc(COc2cc(Br)ccc2Br)cc1.Brc1ccc(COc2ccc(Br)cc2Br)cc1.Brc1ccc(OCc2ccc3ccccc3c2Br)c(Br)c1
InChIInChI=1S/3C17H11Br3O.3C13H9Br3O/c18-13-7-14(19)9-15(8-13)21-10-12-6-5-11-3-1-2-4-16(11)17(12)20;18-13-7-8-16(15(19)9-13)21-10-12-6-5-11-3-1-2-4-14(11)17(12)20;18-13-7-8-15(19)16(9-13)21-10-12-6-5-11-3-1-2-4-14(11)17(12)20;14-10-3-1-9(2-4-10)8-17-13-6-11(15)5-12(16)7-13;14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16;14-10-3-1-9(2-4-10)8-17-13-7-11(15)5-6-12(13)16/h3*1-9H,10H2;3*1-7H,8H2
InChIKeyKITYWFYCKZQOMF-UHFFFAOYSA-N
MW2675.74 g/mol
LogP36.78
Rot. Bonds18

About 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene

1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene (PubChem CID 159146813) has the molecular formula C90H60Br18O6 and a molecular weight of 2675.74 g/mol. Its IUPAC name is 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene
PubChem CID159146813
Molecular FormulaC90H60Br18O6
Molecular Weight2675.74 g/mol
Exact Mass2656.97
IUPAC Name1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene
SMILESBrc1cc(Br)cc(OCc2ccc3ccccc3c2Br)c1.Brc1ccc(Br)c(OCc2ccc3ccccc3c2Br)c1.Brc1ccc(COc2cc(Br)cc(Br)c2)cc1.Brc1ccc(COc2cc(Br)ccc2Br)cc1.Brc1ccc(COc2ccc(Br)cc2Br)cc1.Brc1ccc(OCc2ccc3ccccc3c2Br)c(Br)c1
InChIInChI=1S/3C17H11Br3O.3C13H9Br3O/c18-13-7-14(19)9-15(8-13)21-10-12-6-5-11-3-1-2-4-16(11)17(12)20;18-13-7-8-16(15(19)9-13)21-10-12-6-5-11-3-1-2-4-14(11)17(12)20;18-13-7-8-15(19)16(9-13)21-10-12-6-5-11-3-1-2-4-14(11)17(12)20;14-10-3-1-9(2-4-10)8-17-13-6-11(15)5-12(16)7-13;14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16;14-10-3-1-9(2-4-10)8-17-13-7-11(15)5-6-12(13)16/h3*1-9H,10H2;3*1-7H,8H2
InChIKeyKITYWFYCKZQOMF-UHFFFAOYSA-N
XLogP36.78
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002675.74
LogP ≤ 536.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene with MolForge

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Related Compounds

1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
1-bromo-2-[(3,5-dimethoxyphenoxy)methyl]naphthalene
CID 86225110
1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
CID 59168529
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
2-[(2,4-dibromophenoxy)methyl]aniline
CID 62055358
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
CID 126208478
1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
CID 134843780
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
CID 78909521
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloroaniline
CID 63460675
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene?
The IUPAC name of 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene (CID 159146813) is 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene is Brc1cc(Br)cc(OCc2ccc3ccccc3c2Br)c1.Brc1ccc(Br)c(OCc2ccc3ccccc3c2Br)c1.Brc1ccc(COc2cc(Br)cc(Br)c2)cc1.Brc1ccc(COc2cc(Br)ccc2Br)cc1.Brc1ccc(COc2ccc(Br)cc2Br)cc1.Brc1ccc(OCc2ccc3ccccc3c2Br)c(Br)c1.
What is the InChIKey of 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene?
The InChIKey is KITYWFYCKZQOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H11Br3O.3C13H9Br3O/c18-13-7-14(19)9-15(8-13)21-10-12-6-5-11-3-1-2-4-16(11)17(12)20;18-13-7-8-16(15(19)9-13)21-10-12-6-5-11-3-1-2-4-14(11)17(12)20;18-13-7-8-15(19)16(9-13)21-10-12-6-5-11-3-1-2-4-14(11)17(12)20;14-10-3-1-9(2-4-10)8-17-13-6-11(15)5-12(16)7-13;14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16;14-10-3-1-9(2-4-10)8-17-13-7-11(15)5-6-12(13)16/h3*1-9H,10H2;3*1-7H,8H2.
What are the key properties of 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene?
1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene has a molecular weight of 2675.74 g/mol, XLogP of 36.78, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene is sourced from PubChem (CID 159146813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).