4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol

C16H16BrNO3 — CID 6997895

IUPAC4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol
SMILESCCc1cc(/C(=C/c2ccc(Br)cc2)NO)c(O)cc1O
InChIInChI=1S/C16H16BrNO3/c1-2-11-8-13(16(20)9-15(11)19)14(18-21)7-10-3-5-12(17)6-4-10/h3-9,18-21H,2H2,1H3/b14-7-
InChIKeyYMZUXFGNUGMAKP-AUWJEWJLSA-N
MW350.21 g/mol
LogP3.90
Rot. Bonds4

About 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol

4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol (PubChem CID 6997895) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol
PubChem CID6997895
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol
SMILESCCc1cc(/C(=C/c2ccc(Br)cc2)NO)c(O)cc1O
InChIInChI=1S/C16H16BrNO3/c1-2-11-8-13(16(20)9-15(11)19)14(18-21)7-10-3-5-12(17)6-4-10/h3-9,18-21H,2H2,1H3/b14-7-
InChIKeyYMZUXFGNUGMAKP-AUWJEWJLSA-N
XLogP3.90
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-bromo-4-(4-bromophenyl)but-3-en-2-one
CID 132550401
1-bromo-4-[3-[(4-bromophenyl)methylidene]-2-butylhept-1-enyl]benzene
CID 87701938
N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide
CID 135609935
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
ethyl (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanoate
CID 5388614
4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
CID 84765393
4-(4-bromophenyl)-3-[(4-bromophenyl)methyl]but-3-en-2-one
CID 67010643
3-(4-bromophenyl)-2-methylprop-2-enal
CID 71356769
3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79341618
methyl (E)-3-(4-bromophenyl)-2-methylprop-2-enoate
CID 16664756
N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide
CID 151346913
2-[(4-bromophenyl)methylidene]butan-1-amine
CID 79323672

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol?
The IUPAC name of 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol (CID 6997895) is 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol?
The canonical SMILES for 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol is CCc1cc(/C(=C/c2ccc(Br)cc2)NO)c(O)cc1O.
What is the InChIKey of 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol?
The InChIKey is YMZUXFGNUGMAKP-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-2-11-8-13(16(20)9-15(11)19)14(18-21)7-10-3-5-12(17)6-4-10/h3-9,18-21H,2H2,1H3/b14-7-.
What are the key properties of 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol?
4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol has a molecular weight of 350.21 g/mol, XLogP of 3.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-bromophenyl)-1-(hydroxyamino)ethenyl]-6-ethylbenzene-1,3-diol is sourced from PubChem (CID 6997895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).