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

C9H10Cl3NO — CID 23350203

IUPAC1-chloro-3-(3,4-dichloroanilino)propan-2-ol
SMILESOC(CCl)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl3NO/c10-4-7(14)5-13-6-1-2-8(11)9(12)3-6/h1-3,7,13-14H,4-5H2
InChIKeyIPVPWMONHJTJLP-UHFFFAOYSA-N
MW254.54 g/mol
LogP3.01
Rot. Bonds4

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

1-chloro-3-(3,4-dichloroanilino)propan-2-ol (PubChem CID 23350203) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 1-chloro-3-(3,4-dichloroanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3,4-dichloroanilino)propan-2-ol
PubChem CID23350203
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name1-chloro-3-(3,4-dichloroanilino)propan-2-ol
SMILESOC(CCl)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl3NO/c10-4-7(14)5-13-6-1-2-8(11)9(12)3-6/h1-3,7,13-14H,4-5H2
InChIKeyIPVPWMONHJTJLP-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3,4-dichloroanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(3,4-dichloroanilino)propan-2-ol (CID 23350203) is 1-chloro-3-(3,4-dichloroanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3,4-dichloroanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3,4-dichloroanilino)propan-2-ol is OC(CCl)CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-chloro-3-(3,4-dichloroanilino)propan-2-ol?
The InChIKey is IPVPWMONHJTJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO/c10-4-7(14)5-13-6-1-2-8(11)9(12)3-6/h1-3,7,13-14H,4-5H2.
What are the key properties of 1-chloro-3-(3,4-dichloroanilino)propan-2-ol?
1-chloro-3-(3,4-dichloroanilino)propan-2-ol has a molecular weight of 254.54 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3,4-dichloroanilino)propan-2-ol is sourced from PubChem (CID 23350203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).