1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol

C15H17NO3 — CID 70474392

IUPAC1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
SMILESNC(O)C(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3/c16-15(18)14(17)12-6-8-13(9-7-12)19-10-11-4-2-1-3-5-11/h1-9,14-15,17-18H,10,16H2
InChIKeyDGFAJSJBTZTBKJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.58
Rot. Bonds5

About 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol

1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol (PubChem CID 70474392) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
PubChem CID70474392
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
SMILESNC(O)C(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3/c16-15(18)14(17)12-6-8-13(9-7-12)19-10-11-4-2-1-3-5-11/h1-9,14-15,17-18H,10,16H2
InChIKeyDGFAJSJBTZTBKJ-UHFFFAOYSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-amino-2-(4-phenylmethoxyphenyl)ethane-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

4-bromo-1-(4-phenylmethoxyphenyl)butane-1,2-diol
CID 171893021
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
(2S)-2-amino-3-(4-phenylmethoxyphenyl)propane-1,1-diol
CID 130242612
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
ethyl 4-hydroxy-3-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 69110170

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol (CID 70474392) is 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol is NC(O)C(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol?
The InChIKey is DGFAJSJBTZTBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c16-15(18)14(17)12-6-8-13(9-7-12)19-10-11-4-2-1-3-5-11/h1-9,14-15,17-18H,10,16H2.
What are the key properties of 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol?
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol has a molecular weight of 259.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 70474392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).