1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol

C15H14Cl3NO2 — CID 63488455

IUPAC1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
SMILESOC(CNc1ccc(Cl)c(Cl)c1)COc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl3NO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-11-3-6-14(17)15(18)7-11/h1-7,12,19-20H,8-9H2
InChIKeyOJLSLOOTADKRNQ-UHFFFAOYSA-N
MW346.64 g/mol
LogP4.50
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol

1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol (PubChem CID 63488455) has the molecular formula C15H14Cl3NO2 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
PubChem CID63488455
Molecular FormulaC15H14Cl3NO2
Molecular Weight346.64 g/mol
Exact Mass345.01
IUPAC Name1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
SMILESOC(CNc1ccc(Cl)c(Cl)c1)COc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl3NO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-11-3-6-14(17)15(18)7-11/h1-7,12,19-20H,8-9H2
InChIKeyOJLSLOOTADKRNQ-UHFFFAOYSA-N
XLogP4.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.64
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-(3,4-dichlorophenoxy)-3-(4-propan-2-ylanilino)propan-2-ol
CID 2725828
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79770932
(2R)-1-(3,4-dimethylanilino)-3-[4-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1362683
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
1-(2-chloro-4-iodoanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 107606298
1-(3-bromo-4-fluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 104777587
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol (CID 63488455) is 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol is OC(CNc1ccc(Cl)c(Cl)c1)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol?
The InChIKey is OJLSLOOTADKRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-11-3-6-14(17)15(18)7-11/h1-7,12,19-20H,8-9H2.
What are the key properties of 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol?
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol has a molecular weight of 346.64 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol is sourced from PubChem (CID 63488455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).