amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate

C16H23NO5 — CID 174840290

IUPACamino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate
SMILESCOc1c(O)cccc1C(=O)CCCCCCCC(=O)ON
InChIInChI=1S/C16H23NO5/c1-21-16-12(8-7-10-14(16)19)13(18)9-5-3-2-4-6-11-15(20)22-17/h7-8,10,19H,2-6,9,11,17H2,1H3
InChIKeyOSQQFMCBBHHIPH-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.73
Rot. Bonds10

About amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate

amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate (PubChem CID 174840290) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate.

Molecular Properties

Compound Nameamino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate
PubChem CID174840290
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Nameamino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate
SMILESCOc1c(O)cccc1C(=O)CCCCCCCC(=O)ON
InChIInChI=1S/C16H23NO5/c1-21-16-12(8-7-10-14(16)19)13(18)9-5-3-2-4-6-11-15(20)22-17/h7-8,10,19H,2-6,9,11,17H2,1H3
InChIKeyOSQQFMCBBHHIPH-UHFFFAOYSA-N
XLogP2.73
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxy-2-methoxyphenyl)pentane-1,4-dione
CID 155288895
amino 9-oxo-9-phenylnonanoate
CID 174840256
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
diamino tetradecanedioate
CID 174564109
2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone
CID 54349012
(2,6-dihydroxyphenyl) octadecanoate
CID 67788955
methyl 8-oxo-8-perylen-3-yloctanoate
CID 86605550
1-(3-hydroxy-2-pentoxyphenyl)butan-1-one
CID 174801179
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
methyl 5-(2-aminophenyl)-5-oxopentanoate
CID 14382097

Frequently Asked Questions

What is the IUPAC name of amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate?
The IUPAC name of amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate (CID 174840290) is amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate.
What is the SMILES notation for amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate?
The canonical SMILES for amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate is COc1c(O)cccc1C(=O)CCCCCCCC(=O)ON.
What is the InChIKey of amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate?
The InChIKey is OSQQFMCBBHHIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-21-16-12(8-7-10-14(16)19)13(18)9-5-3-2-4-6-11-15(20)22-17/h7-8,10,19H,2-6,9,11,17H2,1H3.
What are the key properties of amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate?
amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate has a molecular weight of 309.36 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate is sourced from PubChem (CID 174840290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).