1-(4-hydroxyanilino)propane-1,1-diol

C9H13NO3 — CID 175693749

IUPAC1-(4-hydroxyanilino)propane-1,1-diol
SMILESCCC(O)(O)Nc1ccc(O)cc1
InChIInChI=1S/C9H13NO3/c1-2-9(12,13)10-7-3-5-8(11)6-4-7/h3-6,10-13H,2H2,1H3
InChIKeyBCYYQWFKHGGYGY-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.85
Rot. Bonds3

About 1-(4-hydroxyanilino)propane-1,1-diol

1-(4-hydroxyanilino)propane-1,1-diol (PubChem CID 175693749) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(4-hydroxyanilino)propane-1,1-diol.

Molecular Properties

Compound Name1-(4-hydroxyanilino)propane-1,1-diol
PubChem CID175693749
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(4-hydroxyanilino)propane-1,1-diol
SMILESCCC(O)(O)Nc1ccc(O)cc1
InChIInChI=1S/C9H13NO3/c1-2-9(12,13)10-7-3-5-8(11)6-4-7/h3-6,10-13H,2H2,1H3
InChIKeyBCYYQWFKHGGYGY-UHFFFAOYSA-N
XLogP0.85
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyanilino)ethane-1,1-diol
CID 89402783
4-(ethoxymethylamino)phenol
CID 59809482
4-(pentan-3-ylamino)phenol
CID 43742811
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972
4-(3-aminopentan-3-yl)phenol
CID 23621887
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
1-anilino-1-chloropropan-1-ol;hydrochloride
CID 141024057
4-[bis(ethylamino)phosphorylamino]phenol
CID 57317861
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate
CID 62213944
4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile
CID 160920367
2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyanilino)propane-1,1-diol?
The IUPAC name of 1-(4-hydroxyanilino)propane-1,1-diol (CID 175693749) is 1-(4-hydroxyanilino)propane-1,1-diol.
What is the SMILES notation for 1-(4-hydroxyanilino)propane-1,1-diol?
The canonical SMILES for 1-(4-hydroxyanilino)propane-1,1-diol is CCC(O)(O)Nc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyanilino)propane-1,1-diol?
The InChIKey is BCYYQWFKHGGYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-9(12,13)10-7-3-5-8(11)6-4-7/h3-6,10-13H,2H2,1H3.
What are the key properties of 1-(4-hydroxyanilino)propane-1,1-diol?
1-(4-hydroxyanilino)propane-1,1-diol has a molecular weight of 183.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyanilino)propane-1,1-diol is sourced from PubChem (CID 175693749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).