5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid

C12H16O5 — CID 117352931

IUPAC5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
SMILESCOc1cc(C(C)(C)O)cc(C(=O)O)c1OC
InChIInChI=1S/C12H16O5/c1-12(2,15)7-5-8(11(13)14)10(17-4)9(6-7)16-3/h5-6,15H,1-4H3,(H,13,14)
InChIKeyVZCZTNFMYFJDRD-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.63
Rot. Bonds4

About 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid

5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid (PubChem CID 117352931) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
PubChem CID117352931
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
SMILESCOc1cc(C(C)(C)O)cc(C(=O)O)c1OC
InChIInChI=1S/C12H16O5/c1-12(2,15)7-5-8(11(13)14)10(17-4)9(6-7)16-3/h5-6,15H,1-4H3,(H,13,14)
InChIKeyVZCZTNFMYFJDRD-UHFFFAOYSA-N
XLogP1.63
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxypropan-2-yl)-2,3-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

2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
5-tert-butyl-3-hydroxy-2-methoxybenzoic acid
CID 117321870
2-(3,4-dimethoxy-5-nitrophenyl)propan-2-ol
CID 116987734
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
2,3-dimethoxy-5-methylsulfonylbenzoic acid
CID 13053688
2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 139609935
2,3-dimethoxy-5-nitrobenzoic acid
CID 12007954
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid (CID 117352931) is 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid is COc1cc(C(C)(C)O)cc(C(=O)O)c1OC.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid?
The InChIKey is VZCZTNFMYFJDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-12(2,15)7-5-8(11(13)14)10(17-4)9(6-7)16-3/h5-6,15H,1-4H3,(H,13,14).
What are the key properties of 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid?
5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 117352931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).