3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid

C12H14ClNO3 — CID 153123978

IUPAC3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid
SMILESC=CN(C)CCOc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C12H14ClNO3/c1-3-14(2)6-7-17-11-5-4-9(12(15)16)8-10(11)13/h3-5,8H,1,6-7H2,2H3,(H,15,16)
InChIKeyVVKSWMFCVBLVPP-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.49
Rot. Bonds6

About 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid

3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid (PubChem CID 153123978) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid
PubChem CID153123978
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid
SMILESC=CN(C)CCOc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C12H14ClNO3/c1-3-14(2)6-7-17-11-5-4-9(12(15)16)8-10(11)13/h3-5,8H,1,6-7H2,2H3,(H,15,16)
InChIKeyVVKSWMFCVBLVPP-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]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

3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
3-chloro-4-(3-methoxy-3-oxopropoxy)benzoic acid
CID 63947885
3-chloro-4-dodecoxybenzoic acid;hydrochloride
CID 67895180
3-chloro-4-(2-methylsulfanylethoxy)benzoic acid
CID 115573666
3-chloro-4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45303892
3-chloro-4-[2-(2-methylpropoxy)ethoxy]benzoic acid
CID 106449425
3-chloro-4-[2-(4-fluorophenoxy)ethoxy]benzoic acid
CID 45418727
3-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
3-chloro-4-[2-[methyl-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]ethoxy]benzoic acid
CID 164626272
4-[3-(dimethylamino)propoxy]-3-methylbenzoic acid
CID 62702605
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid?
The IUPAC name of 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid (CID 153123978) is 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid is C=CN(C)CCOc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid?
The InChIKey is VVKSWMFCVBLVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-3-14(2)6-7-17-11-5-4-9(12(15)16)8-10(11)13/h3-5,8H,1,6-7H2,2H3,(H,15,16).
What are the key properties of 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid?
3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid has a molecular weight of 255.70 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-[ethenyl(methyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 153123978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).