4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol

C10H8Br2ClNO2 — CID 137303928

IUPAC4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/OC/C(Br)=C\Br
InChIInChI=1S/C10H8Br2ClNO2/c11-4-8(12)6-16-14-5-7-3-9(13)1-2-10(7)15/h1-5,15H,6H2/b8-4+,14-5+
InChIKeyNUIKSBLFDKHYMQ-IWGDNDHUSA-N
MW369.44 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol

4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol (PubChem CID 137303928) has the molecular formula C10H8Br2ClNO2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol
PubChem CID137303928
Molecular FormulaC10H8Br2ClNO2
Molecular Weight369.44 g/mol
Exact Mass366.86
IUPAC Name4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/OC/C(Br)=C\Br
InChIInChI=1S/C10H8Br2ClNO2/c11-4-8(12)6-16-14-5-7-3-9(13)1-2-10(7)15/h1-5,15H,6H2/b8-4+,14-5+
InChIKeyNUIKSBLFDKHYMQ-IWGDNDHUSA-N
XLogP4.03
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol
CID 136832239
2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyacetonitrile
CID 137279063
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-bromo-2-[(E)-but-3-ynoxyiminomethyl]phenol
CID 137314174
2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol
CID 137279193
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol
CID 145079806
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethylphenol
CID 759206
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol (CID 137303928) is 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/OC/C(Br)=C\Br.
What is the InChIKey of 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol?
The InChIKey is NUIKSBLFDKHYMQ-IWGDNDHUSA-N. The full InChI is InChI=1S/C10H8Br2ClNO2/c11-4-8(12)6-16-14-5-7-3-9(13)1-2-10(7)15/h1-5,15H,6H2/b8-4+,14-5+.
What are the key properties of 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol?
4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol has a molecular weight of 369.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol is sourced from PubChem (CID 137303928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).