2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid

C17H17ClO4 — CID 141171152

IUPAC2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid
SMILESCCc1c(C)c(Cl)c(C(=O)O)c(O)c1OCc1ccccc1
InChIInChI=1S/C17H17ClO4/c1-3-12-10(2)14(18)13(17(20)21)15(19)16(12)22-9-11-7-5-4-6-8-11/h4-8,19H,3,9H2,1-2H3,(H,20,21)
InChIKeySECLZTKUTQGXDW-UHFFFAOYSA-N
MW320.77 g/mol
LogP4.19
Rot. Bonds5

About 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid

2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid (PubChem CID 141171152) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid
PubChem CID141171152
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid
SMILESCCc1c(C)c(Cl)c(C(=O)O)c(O)c1OCc1ccccc1
InChIInChI=1S/C17H17ClO4/c1-3-12-10(2)14(18)13(17(20)21)15(19)16(12)22-9-11-7-5-4-6-8-11/h4-8,19H,3,9H2,1-2H3,(H,20,21)
InChIKeySECLZTKUTQGXDW-UHFFFAOYSA-N
XLogP4.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-ethyl-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159161134
3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822
CID 6334341
CID 6334341
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
1-(2-chloro-4-ethyl-6-fluoro-5-methyl-3-phenylmethoxyphenyl)pyrrolidine
CID 90813390
2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
CID 91467417
5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid
CID 80517770
6-bromo-2-chloro-3-phenylmethoxybenzoic acid
CID 146035320
3-ethyl-2-iodo-5-methoxy-4-phenylmethoxybenzoic acid
CID 157224602
2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
CID 59202337
4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid?
The IUPAC name of 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid (CID 141171152) is 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid?
The canonical SMILES for 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid is CCc1c(C)c(Cl)c(C(=O)O)c(O)c1OCc1ccccc1.
What is the InChIKey of 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid?
The InChIKey is SECLZTKUTQGXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-3-12-10(2)14(18)13(17(20)21)15(19)16(12)22-9-11-7-5-4-6-8-11/h4-8,19H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid?
2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid has a molecular weight of 320.77 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 141171152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).