3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid

C15H21ClO3 — CID 117458536

IUPAC3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1cc(C(C)C)cc(CC(C)(C)C(=O)O)c1Cl
InChIInChI=1S/C15H21ClO3/c1-9(2)10-6-11(8-15(3,4)14(17)18)13(16)12(7-10)19-5/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyQRWWTHRFQMIPAH-UHFFFAOYSA-N
MW284.78 g/mol
LogP4.13
Rot. Bonds5

About 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid

3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117458536) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid
PubChem CID117458536
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1cc(C(C)C)cc(CC(C)(C)C(=O)O)c1Cl
InChIInChI=1S/C15H21ClO3/c1-9(2)10-6-11(8-15(3,4)14(17)18)13(16)12(7-10)19-5/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyQRWWTHRFQMIPAH-UHFFFAOYSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic 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-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430043
3-(3-chloro-4,5-dimethoxy-2-methylphenyl)-2,2-dimethylpropanoic acid
CID 117462457
3-[2,5-di(propan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117411066
3-(5-chloro-2-fluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117406133
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate
CID 116927536
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480
3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117439274
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117462443
3-(bromomethyl)-4-chloro-5-methoxybenzoic acid
CID 90419079
ethyl 2-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
CID 117458393

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid (CID 117458536) is 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid is COc1cc(C(C)C)cc(CC(C)(C)C(=O)O)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is QRWWTHRFQMIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-9(2)10-6-11(8-15(3,4)14(17)18)13(16)12(7-10)19-5/h6-7,9H,8H2,1-5H3,(H,17,18).
What are the key properties of 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid?
3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 284.78 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117458536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).