2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid

C16H13Cl3O3 — CID 59346775

IUPAC2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
SMILESO=C(O)c1c(Cl)cc(C(O)CCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H13Cl3O3/c17-11-4-1-9(2-5-11)3-6-14(20)10-7-12(18)15(16(21)22)13(19)8-10/h1-2,4-5,7-8,14,20H,3,6H2,(H,21,22)
InChIKeyZDSNBKPLBZDBAD-UHFFFAOYSA-N
MW359.64 g/mol
LogP5.01
Rot. Bonds5

About 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid

2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid (PubChem CID 59346775) has the molecular formula C16H13Cl3O3 and a molecular weight of 359.64 g/mol. Its IUPAC name is 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
PubChem CID59346775
Molecular FormulaC16H13Cl3O3
Molecular Weight359.64 g/mol
Exact Mass357.99
IUPAC Name2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
SMILESO=C(O)c1c(Cl)cc(C(O)CCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H13Cl3O3/c17-11-4-1-9(2-5-11)3-6-14(20)10-7-12(18)15(16(21)22)13(19)8-10/h1-2,4-5,7-8,14,20H,3,6H2,(H,21,22)
InChIKeyZDSNBKPLBZDBAD-UHFFFAOYSA-N
XLogP5.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dichloro-4-methylbenzoic acid
CID 18533234
4-Biphenylcarboxylic acid, 4'-chloro-
CID 616002
2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid
CID 56557
1,2-Bis(4-chlorophenyl)-2-hydroxyethanone
CID 219286
Benzenedicarboxylic acid, dichloro-
CID 39047
3'-Chloro-biphenyl-4-carboxylic acid
CID 2757417
4-[(E)-3-oxo-3-(2,3,4-trichlorophenyl)prop-1-enyl]benzoic acid
CID 5803398
4-[4-(2,4-Dichlorobenzoyl)benzoyl]benzoic acid
CID 10069491
4-[4-(3,4-Dichlorobenzoyl)benzoyl]benzoic acid
CID 10250314
4-[4-(4-Chlorobenzoyl)benzoyl]benzoic acid
CID 10428890
4-[4-(2,4-Dichlorophenyl)benzoyl]benzoic acid
CID 11726674
lithium 4-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-4-hydroxybutanoate
CID 25178372

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid?
The IUPAC name of 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid (CID 59346775) is 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid.
What is the SMILES notation for 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid?
The canonical SMILES for 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid is O=C(O)c1c(Cl)cc(C(O)CCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid?
The InChIKey is ZDSNBKPLBZDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3O3/c17-11-4-1-9(2-5-11)3-6-14(20)10-7-12(18)15(16(21)22)13(19)8-10/h1-2,4-5,7-8,14,20H,3,6H2,(H,21,22).
What are the key properties of 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid?
2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid has a molecular weight of 359.64 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid is sourced from PubChem (CID 59346775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).