5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol

C14H23NO4 — CID 123229795

IUPAC5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol
SMILESCCCCCOc1c(O)cc(C(O)C(C)N)cc1O
InChIInChI=1S/C14H23NO4/c1-3-4-5-6-19-14-11(16)7-10(8-12(14)17)13(18)9(2)15/h7-9,13,16-18H,3-6,15H2,1-2H3
InChIKeyHMOLNMLRXGZZIQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.05
Rot. Bonds7

About 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol

5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol (PubChem CID 123229795) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol
PubChem CID123229795
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol
SMILESCCCCCOc1c(O)cc(C(O)C(C)N)cc1O
InChIInChI=1S/C14H23NO4/c1-3-4-5-6-19-14-11(16)7-10(8-12(14)17)13(18)9(2)15/h7-9,13,16-18H,3-6,15H2,1-2H3
InChIKeyHMOLNMLRXGZZIQ-UHFFFAOYSA-N
XLogP2.05
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1-aminoethyl)-2-heptoxyphenol
CID 67604172
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
5-[hydroxy(octoxy)methyl]benzene-1,2,3-triol
CID 146666211
2-butoxybenzene-1,3-diol
CID 101011168
2-dodecoxy-1,3,5-triiodobenzene
CID 139999122
2-hexoxy-1,3,5-triiodobenzene
CID 18999254
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 91657933
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 97294401
3,4-dihexoxynaphthalen-1-ol
CID 19873008

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol?
The IUPAC name of 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol (CID 123229795) is 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol.
What is the SMILES notation for 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol?
The canonical SMILES for 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol is CCCCCOc1c(O)cc(C(O)C(C)N)cc1O.
What is the InChIKey of 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol?
The InChIKey is HMOLNMLRXGZZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-4-5-6-19-14-11(16)7-10(8-12(14)17)13(18)9(2)15/h7-9,13,16-18H,3-6,15H2,1-2H3.
What are the key properties of 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol?
5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol has a molecular weight of 269.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxypropyl)-2-pentoxybenzene-1,3-diol is sourced from PubChem (CID 123229795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).