2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid

C13H17ClO3 — CID 82266792

IUPAC2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
SMILESCc1cc(Cl)c(C)c(CC(=O)O)c1OC(C)C
InChIInChI=1S/C13H17ClO3/c1-7(2)17-13-8(3)5-11(14)9(4)10(13)6-12(15)16/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyMGNNDPARMPQYRY-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.37
Rot. Bonds4

About 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid

2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid (PubChem CID 82266792) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
PubChem CID82266792
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
SMILESCc1cc(Cl)c(C)c(CC(=O)O)c1OC(C)C
InChIInChI=1S/C13H17ClO3/c1-7(2)17-13-8(3)5-11(14)9(4)10(13)6-12(15)16/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyMGNNDPARMPQYRY-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic 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-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one
CID 82266800
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
CID 82267526
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
CID 82266811
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574
2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
CID 171005263

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid (CID 82266792) is 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid is Cc1cc(Cl)c(C)c(CC(=O)O)c1OC(C)C.
What is the InChIKey of 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid?
The InChIKey is MGNNDPARMPQYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-7(2)17-13-8(3)5-11(14)9(4)10(13)6-12(15)16/h5,7H,6H2,1-4H3,(H,15,16).
What are the key properties of 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid?
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid has a molecular weight of 256.73 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 82266792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).