2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid

C12H15FO4 — CID 84703270

IUPAC2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(C(C)(C)F)cc1OC
InChIInChI=1S/C12H15FO4/c1-12(2,13)8-6-10(17-4)9(16-3)5-7(8)11(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyPKAQZECWZIZHPN-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.61
Rot. Bonds4

About 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid

2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid (PubChem CID 84703270) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
PubChem CID84703270
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(C(C)(C)F)cc1OC
InChIInChI=1S/C12H15FO4/c1-12(2,13)8-6-10(17-4)9(16-3)5-7(8)11(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyPKAQZECWZIZHPN-UHFFFAOYSA-N
XLogP2.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
2-carboxy-4,5-dimethoxyphenolate
CID 86306376
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117426481
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
2-amino-4-methoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 43380092
3-amino-1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-1-one
CID 117435409
1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117435412
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108
5-tert-butyl-2-hydroxy-4-methoxybenzoic acid
CID 151019473

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid (CID 84703270) is 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid is COc1cc(C(=O)O)c(C(C)(C)F)cc1OC.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid?
The InChIKey is PKAQZECWZIZHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-12(2,13)8-6-10(17-4)9(16-3)5-7(8)11(14)15/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid?
2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid has a molecular weight of 242.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 84703270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).