3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol

C15H15Cl2NO2 — CID 168593759

IUPAC3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2NO2/c16-12-5-11(6-13(17)7-12)10-1-3-14(4-2-10)18-8-15(20)9-19/h1-7,15,18-20H,8-9H2
InChIKeyCWXVNKZAFCCFSJ-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.43
Rot. Bonds5

About 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol

3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol (PubChem CID 168593759) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol
PubChem CID168593759
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2NO2/c16-12-5-11(6-13(17)7-12)10-1-3-14(4-2-10)18-8-15(20)9-19/h1-7,15,18-20H,8-9H2
InChIKeyCWXVNKZAFCCFSJ-UHFFFAOYSA-N
XLogP3.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloroanilino)propane-1,2-diol
CID 76891534
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
3-[4-[4-(1,3-dioxolan-2-yl)phenyl]anilino]propane-1,2-diol
CID 168597177
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
[4-(2,3-dihydroxypropylamino)phenyl]boronic acid
CID 168597172
propan-2-yl 4-[4-(2,3-dihydroxypropylamino)phenyl]benzoate
CID 168596264
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol
CID 168597238
3-(4-fluoro-3-iodoanilino)propane-1,2-diol
CID 168597274
5-(4-chlorophenyl)-2-(2,3-dihydroxypropylamino)benzonitrile
CID 168594037
3-(1H-pyrrol-3-ylamino)propane-1,2-diol
CID 115121889
1-amino-3-(3,5-dichloroanilino)propan-2-ol
CID 82044189

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol (CID 168593759) is 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol is OCC(O)CNc1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol?
The InChIKey is CWXVNKZAFCCFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-12-5-11(6-13(17)7-12)10-1-3-14(4-2-10)18-8-15(20)9-19/h1-7,15,18-20H,8-9H2.
What are the key properties of 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol?
3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol has a molecular weight of 312.20 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol is sourced from PubChem (CID 168593759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).