4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid

C13H8Cl2O3 — CID 4737573

IUPAC4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C13H8Cl2O3/c14-10-5-9(6-11(15)12(10)16)7-1-3-8(4-2-7)13(17)18/h1-6,16H,(H,17,18)
InChIKeyYIWRHZFXVNIKBL-UHFFFAOYSA-N
MW283.11 g/mol
LogP4.06
Rot. Bonds2

About 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid

4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid (PubChem CID 4737573) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid
PubChem CID4737573
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C13H8Cl2O3/c14-10-5-9(6-11(15)12(10)16)7-1-3-8(4-2-7)13(17)18/h1-6,16H,(H,17,18)
InChIKeyYIWRHZFXVNIKBL-UHFFFAOYSA-N
XLogP4.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dichloro-4-hydroxybenzoic acid
CID 18749
3-Chloro-4-hydroxyphenylacetic acid
CID 118534
3-Chloro-4-hydroxybenzoic acid
CID 19860
3-Chloro-2-hydroxy-5-phenylbenzoic acid
CID 20521547
4,4-Bis-(3,5-dichloro-4-hydroxyphenyl)-valeric acid
CID 294860
1-(3,5-Dichloro-4-hydroxyphenyl)ethanone
CID 86920
3'-Chloro-biphenyl-4-carboxylic acid
CID 2757417
(3,5-Dichloro-2-hydroxyphenyl)(phenyl)methanone
CID 522515
5-(3-Carboxy-5-chloro-4-hydroxybenzyl)-3-chloro-2-hydroxybenzoic acid
CID 360384
5-Chloro-4-hydroxy-3''-methylbiphenyl-3-carboxylic acid
CID 49843991
5-Chloro-4-hydroxy-4''-methylbiphenyl-3-carboxylic acid
CID 49844128
4''-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxylic acid
CID 49844130

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid?
The IUPAC name of 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid (CID 4737573) is 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid?
The canonical SMILES for 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid is O=C(O)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)cc1.
What is the InChIKey of 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid?
The InChIKey is YIWRHZFXVNIKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-10-5-9(6-11(15)12(10)16)7-1-3-8(4-2-7)13(17)18/h1-6,16H,(H,17,18).
What are the key properties of 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid?
4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid has a molecular weight of 283.11 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 4737573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).