dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium

C9H14NO3+ — CID 163155275

IUPACdihydroxy-[2-(4-methoxyphenyl)ethyl]azanium
SMILESCOc1ccc(CC[NH+](O)O)cc1
InChIInChI=1S/C9H13NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-5,11-12H,6-7H2,1H3/p+1
InChIKeyKSDUDESLNDVOJC-UHFFFAOYSA-O
MW184.22 g/mol
LogP-0.10
Rot. Bonds4

About dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium

dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium (PubChem CID 163155275) has the molecular formula C9H14NO3+ and a molecular weight of 184.22 g/mol. Its IUPAC name is dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Namedihydroxy-[2-(4-methoxyphenyl)ethyl]azanium
PubChem CID163155275
Molecular FormulaC9H14NO3+
Molecular Weight184.22 g/mol
Exact Mass184.10
IUPAC Namedihydroxy-[2-(4-methoxyphenyl)ethyl]azanium
SMILESCOc1ccc(CC[NH+](O)O)cc1
InChIInChI=1S/C9H13NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-5,11-12H,6-7H2,1H3/p+1
InChIKeyKSDUDESLNDVOJC-UHFFFAOYSA-O
XLogP-0.10
TPSA54.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-4-propylbenzene
CID 142085762
(4-methoxyphenyl)methanol
CID 7738
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
CID 159394766
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide
CID 88746382

Frequently Asked Questions

What is the IUPAC name of dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium?
The IUPAC name of dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium (CID 163155275) is dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium?
The canonical SMILES for dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium is COc1ccc(CC[NH+](O)O)cc1.
What is the InChIKey of dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium?
The InChIKey is KSDUDESLNDVOJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-5,11-12H,6-7H2,1H3/p+1.
What are the key properties of dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium?
dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium has a molecular weight of 184.22 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 163155275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).