3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid

C11H15ClO4Si — CID 167741862

IUPAC3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid
SMILESCOc1cc(Cl)c(O[Si](C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C11H15ClO4Si/c1-15-7-5-8(11(13)14)10(9(12)6-7)16-17(2,3)4/h5-6H,1-4H3,(H,13,14)
InChIKeyPAHFDOVPSJKXCW-UHFFFAOYSA-N
MW274.78 g/mol
LogP3.26
Rot. Bonds4

About 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid

3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid (PubChem CID 167741862) has the molecular formula C11H15ClO4Si and a molecular weight of 274.78 g/mol. Its IUPAC name is 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid
PubChem CID167741862
Molecular FormulaC11H15ClO4Si
Molecular Weight274.78 g/mol
Exact Mass274.04
IUPAC Name3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid
SMILESCOc1cc(Cl)c(O[Si](C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C11H15ClO4Si/c1-15-7-5-8(11(13)14)10(9(12)6-7)16-17(2,3)4/h5-6H,1-4H3,(H,13,14)
InChIKeyPAHFDOVPSJKXCW-UHFFFAOYSA-N
XLogP3.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid
CID 167718232
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063
5-amino-3-chloro-2-(4-methoxyphenoxy)benzoic acid
CID 107197281
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-amino-4-chloro-3-trimethylsilyloxybenzoic acid
CID 167731210
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024
5-methoxy-1,2-benzoxazole-7-carboxylic acid
CID 117109911
4-chloro-6-methoxy-1H-indole-3-carboxylic acid
CID 118644703
(E)-3-(2,6-dichloro-4-methoxyphenyl)prop-2-enoic acid
CID 99769967
4-chloro-5-fluorosulfonyl-2-trimethylsilyloxybenzoic acid
CID 167730264
3-chloro-2,5-dimethoxyphenol
CID 84661730

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid?
The IUPAC name of 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid (CID 167741862) is 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid?
The canonical SMILES for 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid is COc1cc(Cl)c(O[Si](C)(C)C)c(C(=O)O)c1.
What is the InChIKey of 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid?
The InChIKey is PAHFDOVPSJKXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4Si/c1-15-7-5-8(11(13)14)10(9(12)6-7)16-17(2,3)4/h5-6H,1-4H3,(H,13,14).
What are the key properties of 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid?
3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid has a molecular weight of 274.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167741862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).