2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol

C20H18Br2O — CID 12669124

IUPAC2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
SMILESCCc1ccc(-c2c(Br)c(Br)c(O)c3cc(CC)ccc23)cc1
InChIInChI=1S/C20H18Br2O/c1-3-12-5-8-14(9-6-12)17-15-10-7-13(4-2)11-16(15)20(23)19(22)18(17)21/h5-11,23H,3-4H2,1-2H3
InChIKeyGXEVAYJGKKIEJY-UHFFFAOYSA-N
MW434.17 g/mol
LogP6.86
Rot. Bonds3

About 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol

2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol (PubChem CID 12669124) has the molecular formula C20H18Br2O and a molecular weight of 434.17 g/mol. Its IUPAC name is 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol.

Molecular Properties

Compound Name2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
PubChem CID12669124
Molecular FormulaC20H18Br2O
Molecular Weight434.17 g/mol
Exact Mass431.97
IUPAC Name2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
SMILESCCc1ccc(-c2c(Br)c(Br)c(O)c3cc(CC)ccc23)cc1
InChIInChI=1S/C20H18Br2O/c1-3-12-5-8-14(9-6-12)17-15-10-7-13(4-2)11-16(15)20(23)19(22)18(17)21/h5-11,23H,3-4H2,1-2H3
InChIKeyGXEVAYJGKKIEJY-UHFFFAOYSA-N
XLogP6.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.17
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol?
The IUPAC name of 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol (CID 12669124) is 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol.
What is the SMILES notation for 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol?
The canonical SMILES for 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol is CCc1ccc(-c2c(Br)c(Br)c(O)c3cc(CC)ccc23)cc1.
What is the InChIKey of 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol?
The InChIKey is GXEVAYJGKKIEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br2O/c1-3-12-5-8-14(9-6-12)17-15-10-7-13(4-2)11-16(15)20(23)19(22)18(17)21/h5-11,23H,3-4H2,1-2H3.
What are the key properties of 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol?
2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol has a molecular weight of 434.17 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol is sourced from PubChem (CID 12669124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).