3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde

C17H14Br2O4 — CID 86053223

IUPAC3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde
SMILESCC(C)(c1cc(Br)c(O)c(C=O)c1)c1cc(Br)c(O)c(C=O)c1
InChIInChI=1S/C17H14Br2O4/c1-17(2,11-3-9(7-20)15(22)13(18)5-11)12-4-10(8-21)16(23)14(19)6-12/h3-8,22-23H,1-2H3
InChIKeyRQIQEDDQBYFLEB-UHFFFAOYSA-N
MW442.10 g/mol
LogP4.57
Rot. Bonds4

About 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde

3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde (PubChem CID 86053223) has the molecular formula C17H14Br2O4 and a molecular weight of 442.10 g/mol. Its IUPAC name is 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde
PubChem CID86053223
Molecular FormulaC17H14Br2O4
Molecular Weight442.10 g/mol
Exact Mass439.93
IUPAC Name3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde
SMILESCC(C)(c1cc(Br)c(O)c(C=O)c1)c1cc(Br)c(O)c(C=O)c1
InChIInChI=1S/C17H14Br2O4/c1-17(2,11-3-9(7-20)15(22)13(18)5-11)12-4-10(8-21)16(23)14(19)6-12/h3-8,22-23H,1-2H3
InChIKeyRQIQEDDQBYFLEB-UHFFFAOYSA-N
XLogP4.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.10
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
CID 161440425
3-bromo-2-hydroxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzaldehyde
CID 146627724
5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
CID 14832396
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;bis(guanidine)
CID 6454101
2,5-dibromo-3,4-dihydroxybenzaldehyde
CID 3613602
5-tert-butyl-3-[3-[(5-tert-butyl-3-formyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-2-hydroxybenzaldehyde
CID 136866248
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
CID 53485944
5-[2-[3-[1,1-bis(3-ethyl-5-formyl-4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]-3-ethyl-2-hydroxybenzaldehyde
CID 87529352
3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
CID 7172126
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
5-tert-butyl-2-methylbenzene-1,3-dicarbaldehyde
CID 10965619

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde?
The IUPAC name of 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde (CID 86053223) is 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde?
The canonical SMILES for 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde is CC(C)(c1cc(Br)c(O)c(C=O)c1)c1cc(Br)c(O)c(C=O)c1.
What is the InChIKey of 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde?
The InChIKey is RQIQEDDQBYFLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2O4/c1-17(2,11-3-9(7-20)15(22)13(18)5-11)12-4-10(8-21)16(23)14(19)6-12/h3-8,22-23H,1-2H3.
What are the key properties of 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde?
3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde has a molecular weight of 442.10 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde is sourced from PubChem (CID 86053223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).