5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid

C16H15ClO3 — CID 63459993

IUPAC5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid
SMILESCc1cc(C)c(C)c(Oc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C16H15ClO3/c1-9-6-10(2)11(3)15(7-9)20-14-5-4-12(17)8-13(14)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyLKKVLSOBRXDODG-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.76
Rot. Bonds3

About 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid

5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid (PubChem CID 63459993) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid
PubChem CID63459993
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid
SMILESCc1cc(C)c(C)c(Oc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C16H15ClO3/c1-9-6-10(2)11(3)15(7-9)20-14-5-4-12(17)8-13(14)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyLKKVLSOBRXDODG-UHFFFAOYSA-N
XLogP4.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
CID 63461818
2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid
CID 63514015
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
1-[3-chloro-4-(2,3,5-trimethylphenoxy)phenyl]ethanone
CID 63533846
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]benzoic acid
CID 20988227
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863
5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 63460702
2-amino-5-(2,4-dichlorophenoxy)terephthalic acid
CID 771613
5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid?
The IUPAC name of 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid (CID 63459993) is 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid is Cc1cc(C)c(C)c(Oc2ccc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid?
The InChIKey is LKKVLSOBRXDODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-9-6-10(2)11(3)15(7-9)20-14-5-4-12(17)8-13(14)16(18)19/h4-8H,1-3H3,(H,18,19).
What are the key properties of 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid?
5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid is sourced from PubChem (CID 63459993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).