[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone

C16H17NO4 — CID 168596127

IUPAC[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C16H17NO4/c18-10-15(20)9-17-13-5-1-11(2-6-13)16(21)12-3-7-14(19)8-4-12/h1-8,15,17-20H,9-10H2
InChIKeyUVWDLTSLVQJQLZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.39
Rot. Bonds6

About [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone

[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone (PubChem CID 168596127) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone
PubChem CID168596127
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C16H17NO4/c18-10-15(20)9-17-13-5-1-11(2-6-13)16(21)12-3-7-14(19)8-4-12/h1-8,15,17-20H,9-10H2
InChIKeyUVWDLTSLVQJQLZ-UHFFFAOYSA-N
XLogP1.39
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone 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-[4-(2,3-dihydroxypropylamino)phenoxy]benzoic acid
CID 168594183
2-[4-(2,3-dihydroxypropylamino)phenyl]acetic acid
CID 82095820
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
propan-2-yl 4-[4-(2,3-dihydroxypropylamino)phenyl]benzoate
CID 168596264
3-[4-(1-phenylethenyl)anilino]propane-1,2-diol
CID 168594472
[4-(2,3-dihydroxypropylamino)phenyl]boronic acid
CID 168597172
[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
CID 59712632
1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol
CID 174948950
methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]propanoate
CID 168594899
tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168596980
4-(2,3-dihydroxypropylamino)phthalic acid
CID 168596094
3-[4-(trifluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66175657

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone (CID 168596127) is [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1ccc(NCC(O)CO)cc1.
What is the InChIKey of [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone?
The InChIKey is UVWDLTSLVQJQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-10-15(20)9-17-13-5-1-11(2-6-13)16(21)12-3-7-14(19)8-4-12/h1-8,15,17-20H,9-10H2.
What are the key properties of [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone?
[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone has a molecular weight of 287.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 168596127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).