7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene

C26H32Br2O2 — CID 134417176

IUPAC7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene
SMILESCCC(C)(C)Oc1c(Br)cc2c(c1-c1c3c(cc(Br)c1OC)CCCC3)CCCC2
InChIInChI=1S/C26H32Br2O2/c1-5-26(2,3)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29-4/h14-15H,5-13H2,1-4H3
InChIKeyUGCHHGVDVFQMLA-UHFFFAOYSA-N
MW536.35 g/mol
LogP8.21
Rot. Bonds5

About 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene

7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 134417176) has the molecular formula C26H32Br2O2 and a molecular weight of 536.35 g/mol. Its IUPAC name is 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID134417176
Molecular FormulaC26H32Br2O2
Molecular Weight536.35 g/mol
Exact Mass534.08
IUPAC Name7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene
SMILESCCC(C)(C)Oc1c(Br)cc2c(c1-c1c3c(cc(Br)c1OC)CCCC3)CCCC2
InChIInChI=1S/C26H32Br2O2/c1-5-26(2,3)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29-4/h14-15H,5-13H2,1-4H3
InChIKeyUGCHHGVDVFQMLA-UHFFFAOYSA-N
XLogP8.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.35
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene (CID 134417176) is 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene is CCC(C)(C)Oc1c(Br)cc2c(c1-c1c3c(cc(Br)c1OC)CCCC3)CCCC2.
What is the InChIKey of 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UGCHHGVDVFQMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Br2O2/c1-5-26(2,3)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29-4/h14-15H,5-13H2,1-4H3.
What are the key properties of 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene?
7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 536.35 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(2-methylbutan-2-yloxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 134417176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).