4-(methoxymethoxy)-3-propan-2-ylbenzoic acid

C12H16O4 — CID 164892352

IUPAC4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
SMILESCOCOc1ccc(C(=O)O)cc1C(C)C
InChIInChI=1S/C12H16O4/c1-8(2)10-6-9(12(13)14)4-5-11(10)16-7-15-3/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyIDOUIYUSSYAORP-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.49
Rot. Bonds5

About 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid

4-(methoxymethoxy)-3-propan-2-ylbenzoic acid (PubChem CID 164892352) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
PubChem CID164892352
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
SMILESCOCOc1ccc(C(=O)O)cc1C(C)C
InChIInChI=1S/C12H16O4/c1-8(2)10-6-9(12(13)14)4-5-11(10)16-7-15-3/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyIDOUIYUSSYAORP-UHFFFAOYSA-N
XLogP2.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(methoxymethoxy)-3-propan-2-ylbenzoic 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

3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
4-bromo-3-(methoxymethoxy)benzoic acid
CID 69238735
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
methyl 4-ethoxy-3-propan-2-ylbenzoate
CID 82554090
3-(1-aminoethyl)-4-methoxybenzoic acid
CID 105448791
(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one
CID 102213329
4-methyl-3-propan-2-ylbenzoic acid
CID 23530580
3,4-bis[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoic acid
CID 142209148
bis(3,4-dimethoxybenzoic acid);propane-1,2-diol
CID 70546989
3-[[(4-methoxy-3-propan-2-ylbenzoyl)amino]methyl]benzoic acid
CID 167861012
3-[(4-bromo-2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20986266
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid?
The IUPAC name of 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid (CID 164892352) is 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid.
What is the SMILES notation for 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid?
The canonical SMILES for 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid is COCOc1ccc(C(=O)O)cc1C(C)C.
What is the InChIKey of 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid?
The InChIKey is IDOUIYUSSYAORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(2)10-6-9(12(13)14)4-5-11(10)16-7-15-3/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid?
4-(methoxymethoxy)-3-propan-2-ylbenzoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-3-propan-2-ylbenzoic acid is sourced from PubChem (CID 164892352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).