7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

C22H16Br2O2 — CID 10743041

IUPAC7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
SMILESCOc1ccc2ccc(Br)cc2c1-c1c(OC)ccc2ccc(Br)cc12
InChIInChI=1S/C22H16Br2O2/c1-25-19-9-5-13-3-7-15(23)11-17(13)21(19)22-18-12-16(24)8-4-14(18)6-10-20(22)26-2/h3-12H,1-2H3
InChIKeyYRJICYVURDIHRS-UHFFFAOYSA-N
MW472.18 g/mol
LogP7.20
Rot. Bonds3

About 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene (PubChem CID 10743041) has the molecular formula C22H16Br2O2 and a molecular weight of 472.18 g/mol. Its IUPAC name is 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene.

Molecular Properties

Compound Name7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
PubChem CID10743041
Molecular FormulaC22H16Br2O2
Molecular Weight472.18 g/mol
Exact Mass469.95
IUPAC Name7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
SMILESCOc1ccc2ccc(Br)cc2c1-c1c(OC)ccc2ccc(Br)cc12
InChIInChI=1S/C22H16Br2O2/c1-25-19-9-5-13-3-7-15(23)11-17(13)21(19)22-18-12-16(24)8-4-14(18)6-10-20(22)26-2/h3-12H,1-2H3
InChIKeyYRJICYVURDIHRS-UHFFFAOYSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.18
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
2-Bromo-6-methoxynaphthalene
CID 78786
(R)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol
CID 222842
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
(R)-3,3'-Dibromo-1,1'-bi-2-naphthol
CID 10765693
(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
2-Bromo-3-methoxynaphthalene
CID 13351910
Phenanthrene, 6-bromo-1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS,10aS)-
CID 484412
6,6'-Dimethoxy-2,2'-binaphthalenyl
CID 349174
(R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene
CID 10839989

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The IUPAC name of 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene (CID 10743041) is 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene.
What is the SMILES notation for 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The canonical SMILES for 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene is COc1ccc2ccc(Br)cc2c1-c1c(OC)ccc2ccc(Br)cc12.
What is the InChIKey of 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The InChIKey is YRJICYVURDIHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2O2/c1-25-19-9-5-13-3-7-15(23)11-17(13)21(19)22-18-12-16(24)8-4-14(18)6-10-20(22)26-2/h3-12H,1-2H3.
What are the key properties of 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene has a molecular weight of 472.18 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene is sourced from PubChem (CID 10743041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).