4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol

C14H23NO4 — CID 19069885

IUPAC4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol
SMILESCOCCCC(C)NCC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H23NO4/c1-10(4-3-7-19-2)15-9-14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-18H,3-4,7,9H2,1-2H3
InChIKeyQNSVSIHBZFRFPN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.54
Rot. Bonds8

About 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol

4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol (PubChem CID 19069885) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol
PubChem CID19069885
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol
SMILESCOCCCC(C)NCC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H23NO4/c1-10(4-3-7-19-2)15-9-14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-18H,3-4,7,9H2,1-2H3
InChIKeyQNSVSIHBZFRFPN-UHFFFAOYSA-N
XLogP1.54
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol 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

bis[(1R)-1-(3,4-dihydroxyphenyl)-2-(4-methoxybutan-2-ylamino)ethyl] oxalate
CID 67625832
4-[(1R)-2-[[(2R)-1,1-dichloropropan-2-yl]amino]-1-hydroxyethyl]benzene-1,2-diol
CID 124561880
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
4-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]benzene-1,2-diol
CID 129056721
1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975
boric acid;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CID 23618421
4-[(1R)-2-[6-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 24993924
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol?
The IUPAC name of 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol (CID 19069885) is 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol?
The canonical SMILES for 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol is COCCCC(C)NCC(O)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol?
The InChIKey is QNSVSIHBZFRFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(4-3-7-19-2)15-9-14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-18H,3-4,7,9H2,1-2H3.
What are the key properties of 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol?
4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol has a molecular weight of 269.34 g/mol, XLogP of 1.54, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(5-methoxypentan-2-ylamino)ethyl]benzene-1,2-diol is sourced from PubChem (CID 19069885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).