2-tert-butyl-5-(ethoxymethyl)benzoic acid

C14H20O3 — CID 150300858

IUPAC2-tert-butyl-5-(ethoxymethyl)benzoic acid
SMILESCCOCc1ccc(C(C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H20O3/c1-5-17-9-10-6-7-12(14(2,3)4)11(8-10)13(15)16/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyGJOSZDPMCVQFQP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.22
Rot. Bonds4

About 2-tert-butyl-5-(ethoxymethyl)benzoic acid

2-tert-butyl-5-(ethoxymethyl)benzoic acid (PubChem CID 150300858) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-tert-butyl-5-(ethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-tert-butyl-5-(ethoxymethyl)benzoic acid
PubChem CID150300858
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-tert-butyl-5-(ethoxymethyl)benzoic acid
SMILESCCOCc1ccc(C(C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H20O3/c1-5-17-9-10-6-7-12(14(2,3)4)11(8-10)13(15)16/h6-8H,5,9H2,1-4H3,(H,15,16)
InChIKeyGJOSZDPMCVQFQP-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(propan-2-yloxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117222030
ethyl 2-amino-5-(ethoxymethyl)benzoate
CID 79071040
5-[(3,4-ditert-butylphenyl)methyl]-2-hydroxybenzoic acid
CID 57308275
2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
CID 86730690
CID 86730690
2-tert-butyl-4-(ethoxymethyl)-6-methylphenol
CID 14982148
2-(ethoxymethyl)-5-methylbenzoic acid
CID 117221377
3-(bromomethyl)-5-(ethoxymethyl)benzoic acid
CID 21250898
2-fluoro-5-(heptoxymethyl)benzoic acid
CID 114012263
2-[4-(ethoxymethyl)phenyl]propan-2-ol
CID 129179722

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(ethoxymethyl)benzoic acid?
The IUPAC name of 2-tert-butyl-5-(ethoxymethyl)benzoic acid (CID 150300858) is 2-tert-butyl-5-(ethoxymethyl)benzoic acid.
What is the SMILES notation for 2-tert-butyl-5-(ethoxymethyl)benzoic acid?
The canonical SMILES for 2-tert-butyl-5-(ethoxymethyl)benzoic acid is CCOCc1ccc(C(C)(C)C)c(C(=O)O)c1.
What is the InChIKey of 2-tert-butyl-5-(ethoxymethyl)benzoic acid?
The InChIKey is GJOSZDPMCVQFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-17-9-10-6-7-12(14(2,3)4)11(8-10)13(15)16/h6-8H,5,9H2,1-4H3,(H,15,16).
What are the key properties of 2-tert-butyl-5-(ethoxymethyl)benzoic acid?
2-tert-butyl-5-(ethoxymethyl)benzoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(ethoxymethyl)benzoic acid is sourced from PubChem (CID 150300858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).