1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol

C14H12Cl3NO — CID 60724810

IUPAC1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
SMILESOC(CNc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl3NO/c15-10-3-1-9(2-4-10)14(19)8-18-11-5-6-12(16)13(17)7-11/h1-7,14,18-19H,8H2
InChIKeyINTXOHWCMDPBHK-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.79
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol

1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol (PubChem CID 60724810) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
PubChem CID60724810
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
SMILESOC(CNc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl3NO/c15-10-3-1-9(2-4-10)14(19)8-18-11-5-6-12(16)13(17)7-11/h1-7,14,18-19H,8H2
InChIKeyINTXOHWCMDPBHK-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(3,4-dichloroanilino)-1-(4-nitrophenyl)ethanol
CID 6991040
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol
CID 65474893
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
4-[2-(3-chloro-4-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 83108931
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
CID 113234114
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol (CID 60724810) is 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol is OC(CNc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol?
The InChIKey is INTXOHWCMDPBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c15-10-3-1-9(2-4-10)14(19)8-18-11-5-6-12(16)13(17)7-11/h1-7,14,18-19H,8H2.
What are the key properties of 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol?
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol has a molecular weight of 316.62 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol is sourced from PubChem (CID 60724810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).