1-(3-chloro-4-hydroxyphenyl)ethenylazanium

C8H9ClNO+ — CID 147864839

IUPAC1-(3-chloro-4-hydroxyphenyl)ethenylazanium
SMILESC=C([NH3+])c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H8ClNO/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1,10H2/p+1
InChIKeyHXLCSZQUJBJUNN-UHFFFAOYSA-O
MW170.62 g/mol
LogP1.26
Rot. Bonds1

About 1-(3-chloro-4-hydroxyphenyl)ethenylazanium

1-(3-chloro-4-hydroxyphenyl)ethenylazanium (PubChem CID 147864839) has the molecular formula C8H9ClNO+ and a molecular weight of 170.62 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)ethenylazanium.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)ethenylazanium
PubChem CID147864839
Molecular FormulaC8H9ClNO+
Molecular Weight170.62 g/mol
Exact Mass170.04
IUPAC Name1-(3-chloro-4-hydroxyphenyl)ethenylazanium
SMILESC=C([NH3+])c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H8ClNO/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1,10H2/p+1
InChIKeyHXLCSZQUJBJUNN-UHFFFAOYSA-O
XLogP1.26
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-hydroxybenzamide
CID 22932347
N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide
CID 173296438
3-chloro-4-hydroxybenzohydrazide
CID 10954268
(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone
CID 19043713
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate
CID 139915014
CID 174714761
CID 174714761
5-(2-methylprop-2-enoyloxy)pentyl 3-chloro-4-hydroxybenzoate
CID 11267383
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
(3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone
CID 130193126
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)ethenylazanium?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)ethenylazanium (CID 147864839) is 1-(3-chloro-4-hydroxyphenyl)ethenylazanium.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)ethenylazanium?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)ethenylazanium is C=C([NH3+])c1ccc(O)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)ethenylazanium?
The InChIKey is HXLCSZQUJBJUNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8ClNO/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1,10H2/p+1.
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)ethenylazanium?
1-(3-chloro-4-hydroxyphenyl)ethenylazanium has a molecular weight of 170.62 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)ethenylazanium is sourced from PubChem (CID 147864839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).