4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid

C15H10Cl2O4 — CID 158377713

IUPAC4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Cc2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2O4/c16-11-5-8(6-12(17)14(11)19)7-13(18)9-1-3-10(4-2-9)15(20)21/h1-6,19H,7H2,(H,20,21)
InChIKeyMQDRDBQZQIEIEZ-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.82
Rot. Bonds4

About 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid

4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid (PubChem CID 158377713) has the molecular formula C15H10Cl2O4 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid
PubChem CID158377713
Molecular FormulaC15H10Cl2O4
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Cc2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2O4/c16-11-5-8(6-12(17)14(11)19)7-13(18)9-1-3-10(4-2-9)15(20)21/h1-6,19H,7H2,(H,20,21)
InChIKeyMQDRDBQZQIEIEZ-UHFFFAOYSA-N
XLogP3.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone
CID 66716474
terephthalic acid;dihydrofluoride
CID 70485309
1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one
CID 58192631
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
4-[2-(5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)acetyl]benzoic acid
CID 58420581
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
oxophosphane;terephthalic acid
CID 175391404
4-[(3-chloro-4-fluorophenyl)methyl]benzoic acid
CID 116927199
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
1-(3,5-dichloro-4-hydroxyphenyl)-3-methylbut-3-en-2-one
CID 58716056
terephthalic acid
CID 160582437
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid?
The IUPAC name of 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid (CID 158377713) is 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid.
What is the SMILES notation for 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid?
The canonical SMILES for 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid is O=C(O)c1ccc(C(=O)Cc2cc(Cl)c(O)c(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid?
The InChIKey is MQDRDBQZQIEIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O4/c16-11-5-8(6-12(17)14(11)19)7-13(18)9-1-3-10(4-2-9)15(20)21/h1-6,19H,7H2,(H,20,21).
What are the key properties of 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid?
4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid has a molecular weight of 325.15 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichloro-4-hydroxyphenyl)acetyl]benzoic acid is sourced from PubChem (CID 158377713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).