2-amino-3-(3-hydroxypropoxy)phenol

C9H13NO3 — CID 114764312

IUPAC2-amino-3-(3-hydroxypropoxy)phenol
SMILESNc1c(O)cccc1OCCCO
InChIInChI=1S/C9H13NO3/c10-9-7(12)3-1-4-8(9)13-6-2-5-11/h1,3-4,11-12H,2,5-6,10H2
InChIKeyNQQPYQJDGCYMAZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.74
Rot. Bonds4

About 2-amino-3-(3-hydroxypropoxy)phenol

2-amino-3-(3-hydroxypropoxy)phenol (PubChem CID 114764312) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxypropoxy)phenol.

Molecular Properties

Compound Name2-amino-3-(3-hydroxypropoxy)phenol
PubChem CID114764312
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-amino-3-(3-hydroxypropoxy)phenol
SMILESNc1c(O)cccc1OCCCO
InChIInChI=1S/C9H13NO3/c10-9-7(12)3-1-4-8(9)13-6-2-5-11/h1,3-4,11-12H,2,5-6,10H2
InChIKeyNQQPYQJDGCYMAZ-UHFFFAOYSA-N
XLogP0.74
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205
2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
CID 114764274
2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
CID 114764222
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
2-amino-3-(2,2-difluoroethoxy)phenol
CID 114764343
3-[2,4-diamino-3-(3-hydroxypropoxy)phenoxy]propan-1-ol;hydrochloride
CID 19834651
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
6-(3-amino-2-bromophenoxy)hexan-1-ol
CID 107702028
2-amino-3-aminooxyphenol;dihydrochloride
CID 19876209
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxypropoxy)phenol?
The IUPAC name of 2-amino-3-(3-hydroxypropoxy)phenol (CID 114764312) is 2-amino-3-(3-hydroxypropoxy)phenol.
What is the SMILES notation for 2-amino-3-(3-hydroxypropoxy)phenol?
The canonical SMILES for 2-amino-3-(3-hydroxypropoxy)phenol is Nc1c(O)cccc1OCCCO.
What is the InChIKey of 2-amino-3-(3-hydroxypropoxy)phenol?
The InChIKey is NQQPYQJDGCYMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c10-9-7(12)3-1-4-8(9)13-6-2-5-11/h1,3-4,11-12H,2,5-6,10H2.
What are the key properties of 2-amino-3-(3-hydroxypropoxy)phenol?
2-amino-3-(3-hydroxypropoxy)phenol has a molecular weight of 183.21 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxypropoxy)phenol is sourced from PubChem (CID 114764312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).