3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid

C15H13ClO5 — CID 88657813

IUPAC3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid
SMILESO=C(O)c1cc(CCOc2ccccc2)c(O)c(Cl)c1O
InChIInChI=1S/C15H13ClO5/c16-12-13(17)9(8-11(14(12)18)15(19)20)6-7-21-10-4-2-1-3-5-10/h1-5,8,17-18H,6-7H2,(H,19,20)
InChIKeyXTJKHCWAARQDKI-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.07
Rot. Bonds5

About 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid

3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid (PubChem CID 88657813) has the molecular formula C15H13ClO5 and a molecular weight of 308.72 g/mol. Its IUPAC name is 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid
PubChem CID88657813
Molecular FormulaC15H13ClO5
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid
SMILESO=C(O)c1cc(CCOc2ccccc2)c(O)c(Cl)c1O
InChIInChI=1S/C15H13ClO5/c16-12-13(17)9(8-11(14(12)18)15(19)20)6-7-21-10-4-2-1-3-5-10/h1-5,8,17-18H,6-7H2,(H,19,20)
InChIKeyXTJKHCWAARQDKI-UHFFFAOYSA-N
XLogP3.07
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenoxyethyl)benzamide
CID 68945309
1,2-dichloro-3-(2-phenoxyethyl)benzene
CID 91220321
methyl 5-chloro-2-methyl-4-(2-phenoxyethyl)benzoate
CID 126751751
3,4-dihydroxy-2-(3-phenoxypropyl)benzoic acid
CID 70429914
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid
CID 88658173
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014
2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid
CID 57432301
1-(2-chlorophenyl)-3-phenoxypropan-1-one
CID 61029805
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid?
The IUPAC name of 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid (CID 88657813) is 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid.
What is the SMILES notation for 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid?
The canonical SMILES for 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid is O=C(O)c1cc(CCOc2ccccc2)c(O)c(Cl)c1O.
What is the InChIKey of 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid?
The InChIKey is XTJKHCWAARQDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO5/c16-12-13(17)9(8-11(14(12)18)15(19)20)6-7-21-10-4-2-1-3-5-10/h1-5,8,17-18H,6-7H2,(H,19,20).
What are the key properties of 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid?
3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid has a molecular weight of 308.72 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid is sourced from PubChem (CID 88657813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).