2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene

C19H20Br4O2 — CID 54514286

IUPAC2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene
SMILESCCOc1ccc(C(C)(C)c2ccc(OCC)c(Br)c2Br)c(Br)c1Br
InChIInChI=1S/C19H20Br4O2/c1-5-24-13-9-7-11(15(20)17(13)22)19(3,4)12-8-10-14(25-6-2)18(23)16(12)21/h7-10H,5-6H2,1-4H3
InChIKeyYLHSFJQEGVDUDJ-UHFFFAOYSA-N
MW599.98 g/mol
LogP7.86
Rot. Bonds6

About 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene

2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene (PubChem CID 54514286) has the molecular formula C19H20Br4O2 and a molecular weight of 599.98 g/mol. Its IUPAC name is 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene.

Molecular Properties

Compound Name2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene
PubChem CID54514286
Molecular FormulaC19H20Br4O2
Molecular Weight599.98 g/mol
Exact Mass595.82
IUPAC Name2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene
SMILESCCOc1ccc(C(C)(C)c2ccc(OCC)c(Br)c2Br)c(Br)c1Br
InChIInChI=1S/C19H20Br4O2/c1-5-24-13-9-7-11(15(20)17(13)22)19(3,4)12-8-10-14(25-6-2)18(23)16(12)21/h7-10H,5-6H2,1-4H3
InChIKeyYLHSFJQEGVDUDJ-UHFFFAOYSA-N
XLogP7.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.98
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene
CID 170602979
2-bromo-3-ethoxy-6-fluorophenol
CID 119019688
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
4-bromo-2-(4-chloro-2-methylbutan-2-yl)-1-ethoxybenzene
CID 79838502
4-ethenoxy-1-[2-(4-ethenoxy-2-ethoxyphenyl)propan-2-yl]-2-ethoxybenzene
CID 67789753
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
[6-[2-(3,4-diethoxy-2-prop-2-enoyloxyphenyl)propan-2-yl]-2,3-diethoxyphenyl] prop-2-enoate
CID 67764266
5-bromo-6-ethoxyquinoline
CID 4197454
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
3-bromo-4-ethoxy-1H-pyridin-2-one
CID 21453478
1,2,3-tribromo-4-propoxybenzene
CID 70578874
1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 55120471

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene?
The IUPAC name of 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene (CID 54514286) is 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene.
What is the SMILES notation for 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene?
The canonical SMILES for 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene is CCOc1ccc(C(C)(C)c2ccc(OCC)c(Br)c2Br)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene?
The InChIKey is YLHSFJQEGVDUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br4O2/c1-5-24-13-9-7-11(15(20)17(13)22)19(3,4)12-8-10-14(25-6-2)18(23)16(12)21/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene?
2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene has a molecular weight of 599.98 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene is sourced from PubChem (CID 54514286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).