(E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal

C26H33BrO7 — CID 177457549

IUPAC(E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal
SMILESO=C/C=C/c1cccc(OCCOCCOCCOCCOCCOCc2ccc(Br)cc2)c1
InChIInChI=1S/C26H33BrO7/c27-25-8-6-24(7-9-25)22-33-18-17-31-14-13-29-11-12-30-15-16-32-19-20-34-26-5-1-3-23(21-26)4-2-10-28/h1-10,21H,11-20,22H2/b4-2+
InChIKeyUZMCMMXXFWMYOZ-DUXPYHPUSA-N
MW537.45 g/mol
LogP4.32
Rot. Bonds20

About (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal

(E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal (PubChem CID 177457549) has the molecular formula C26H33BrO7 and a molecular weight of 537.45 g/mol. Its IUPAC name is (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal
PubChem CID177457549
Molecular FormulaC26H33BrO7
Molecular Weight537.45 g/mol
Exact Mass536.14
IUPAC Name(E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal
SMILESO=C/C=C/c1cccc(OCCOCCOCCOCCOCCOCc2ccc(Br)cc2)c1
InChIInChI=1S/C26H33BrO7/c27-25-8-6-24(7-9-25)22-33-18-17-31-14-13-29-11-12-30-15-16-32-19-20-34-26-5-1-3-23(21-26)4-2-10-28/h1-10,21H,11-20,22H2/b4-2+
InChIKeyUZMCMMXXFWMYOZ-DUXPYHPUSA-N
XLogP4.32
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
3-(5-phenylmethoxypentoxy)benzaldehyde
CID 86637621
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42232312
4-(3-propoxyphenyl)but-3-enal
CID 170482159
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
[2-[2-[2-[2-(3-formylphenoxy)ethoxy]ethoxy]ethoxy]-1-hydroxy-1-phosphorosoethyl]-hydroxy-oxophosphanium
CID 90087163
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 6082472

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal?
The IUPAC name of (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal (CID 177457549) is (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal is O=C/C=C/c1cccc(OCCOCCOCCOCCOCCOCc2ccc(Br)cc2)c1.
What is the InChIKey of (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal?
The InChIKey is UZMCMMXXFWMYOZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C26H33BrO7/c27-25-8-6-24(7-9-25)22-33-18-17-31-14-13-29-11-12-30-15-16-32-19-20-34-26-5-1-3-23(21-26)4-2-10-28/h1-10,21H,11-20,22H2/b4-2+.
What are the key properties of (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal?
(E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal has a molecular weight of 537.45 g/mol, XLogP of 4.32, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[2-[2-[2-[2-[2-[(4-bromophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]prop-2-enal is sourced from PubChem (CID 177457549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).