2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol

C9H6Cl4O — CID 15054140

IUPAC2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol
SMILESOC(C(Cl)=C(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl4O/c10-6-3-1-5(2-4-6)8(14)7(11)9(12)13/h1-4,8,14H
InChIKeyZVOFIMFQQZHUCV-UHFFFAOYSA-N
MW271.96 g/mol
LogP4.26
Rot. Bonds2

About 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol

2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol (PubChem CID 15054140) has the molecular formula C9H6Cl4O and a molecular weight of 271.96 g/mol. Its IUPAC name is 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol
PubChem CID15054140
Molecular FormulaC9H6Cl4O
Molecular Weight271.96 g/mol
Exact Mass269.92
IUPAC Name2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol
SMILESOC(C(Cl)=C(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl4O/c10-6-3-1-5(2-4-6)8(14)7(11)9(12)13/h1-4,8,14H
InChIKeyZVOFIMFQQZHUCV-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.96
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol?
The IUPAC name of 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol (CID 15054140) is 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol?
The canonical SMILES for 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol is OC(C(Cl)=C(Cl)Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol?
The InChIKey is ZVOFIMFQQZHUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl4O/c10-6-3-1-5(2-4-6)8(14)7(11)9(12)13/h1-4,8,14H.
What are the key properties of 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol?
2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol has a molecular weight of 271.96 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trichloro-1-(4-chlorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 15054140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).