6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol

C24H20Br2O4 — CID 101443627

IUPAC6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol
SMILESCCOc1cc2c(-c3c(O)ccc4cc(Br)c(OCC)cc34)c(O)ccc2cc1Br
InChIInChI=1S/C24H20Br2O4/c1-3-29-21-11-15-13(9-17(21)25)5-7-19(27)23(15)24-16-12-22(30-4-2)18(26)10-14(16)6-8-20(24)28/h5-12,27-28H,3-4H2,1-2H3
InChIKeyGZBLDUKDUCFDFR-UHFFFAOYSA-N
MW532.23 g/mol
LogP7.39
Rot. Bonds5

About 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol

6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol (PubChem CID 101443627) has the molecular formula C24H20Br2O4 and a molecular weight of 532.23 g/mol. Its IUPAC name is 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol
PubChem CID101443627
Molecular FormulaC24H20Br2O4
Molecular Weight532.23 g/mol
Exact Mass529.97
IUPAC Name6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol
SMILESCCOc1cc2c(-c3c(O)ccc4cc(Br)c(OCC)cc34)c(O)ccc2cc1Br
InChIInChI=1S/C24H20Br2O4/c1-3-29-21-11-15-13(9-17(21)25)5-7-19(27)23(15)24-16-12-22(30-4-2)18(26)10-14(16)6-8-20(24)28/h5-12,27-28H,3-4H2,1-2H3
InChIKeyGZBLDUKDUCFDFR-UHFFFAOYSA-N
XLogP7.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol
CID 102103016
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
4-amino-2-ethoxyphenol
CID 12856010
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
4-bromo-3-ethoxyaniline
CID 7015503
2,4-diethoxy-3-methylphenol
CID 11030728
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol?
The IUPAC name of 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol (CID 101443627) is 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol?
The canonical SMILES for 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol is CCOc1cc2c(-c3c(O)ccc4cc(Br)c(OCC)cc34)c(O)ccc2cc1Br.
What is the InChIKey of 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol?
The InChIKey is GZBLDUKDUCFDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2O4/c1-3-29-21-11-15-13(9-17(21)25)5-7-19(27)23(15)24-16-12-22(30-4-2)18(26)10-14(16)6-8-20(24)28/h5-12,27-28H,3-4H2,1-2H3.
What are the key properties of 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol?
6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol has a molecular weight of 532.23 g/mol, XLogP of 7.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol is sourced from PubChem (CID 101443627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).