5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid

C10H11ClO5 — CID 104665647

IUPAC5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
SMILESCOCOc1c(OC)cc(Cl)cc1C(=O)O
InChIInChI=1S/C10H11ClO5/c1-14-5-16-9-7(10(12)13)3-6(11)4-8(9)15-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyNEZZXUGXHYKOND-UHFFFAOYSA-N
MW246.65 g/mol
LogP2.03
Rot. Bonds5

About 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid

5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid (PubChem CID 104665647) has the molecular formula C10H11ClO5 and a molecular weight of 246.65 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
PubChem CID104665647
Molecular FormulaC10H11ClO5
Molecular Weight246.65 g/mol
Exact Mass246.03
IUPAC Name5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
SMILESCOCOc1c(OC)cc(Cl)cc1C(=O)O
InChIInChI=1S/C10H11ClO5/c1-14-5-16-9-7(10(12)13)3-6(11)4-8(9)15-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyNEZZXUGXHYKOND-UHFFFAOYSA-N
XLogP2.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic 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-chloro-3-methoxy-2-prop-2-ynoxybenzoic acid
CID 19693334
5-chloro-3-methoxy-2-(3-methylbutoxy)benzoic acid
CID 113438800
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
5-chloro-3-methoxy-2-(2-methylbutoxy)benzoic acid
CID 113438799
5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoic acid
CID 113438814
5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid
CID 104665725
5-chloro-3-methoxy-2-pentan-3-yloxybenzoic acid
CID 104665804
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid
CID 104665658
2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
CID 104665659
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
5-chloro-3-methoxy-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 104665657

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid?
The IUPAC name of 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid (CID 104665647) is 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid.
What is the SMILES notation for 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid?
The canonical SMILES for 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid is COCOc1c(OC)cc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid?
The InChIKey is NEZZXUGXHYKOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5/c1-14-5-16-9-7(10(12)13)3-6(11)4-8(9)15-2/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid?
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid has a molecular weight of 246.65 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid is sourced from PubChem (CID 104665647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).