2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid

C13H15ClO3 — CID 82482100

IUPAC2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
SMILESCOc1cc(C)c(Cl)cc1C(C(=O)O)C1CC1
InChIInChI=1S/C13H15ClO3/c1-7-5-11(17-2)9(6-10(7)14)12(13(15)16)8-3-4-8/h5-6,8,12H,3-4H2,1-2H3,(H,15,16)
InChIKeyWGAWOFBHIAYOAQ-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.24
Rot. Bonds4

About 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid

2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid (PubChem CID 82482100) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
PubChem CID82482100
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
SMILESCOc1cc(C)c(Cl)cc1C(C(=O)O)C1CC1
InChIInChI=1S/C13H15ClO3/c1-7-5-11(17-2)9(6-10(7)14)12(13(15)16)8-3-4-8/h5-6,8,12H,3-4H2,1-2H3,(H,15,16)
InChIKeyWGAWOFBHIAYOAQ-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-(2-bromo-4,5-dimethoxyphenyl)-2-cyclopropylacetic acid
CID 175668604
2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
CID 82480271
2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid
CID 82306007
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 83838639
1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one
CID 68813134
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid (CID 82482100) is 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid is COc1cc(C)c(Cl)cc1C(C(=O)O)C1CC1.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid?
The InChIKey is WGAWOFBHIAYOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-7-5-11(17-2)9(6-10(7)14)12(13(15)16)8-3-4-8/h5-6,8,12H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid?
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid has a molecular weight of 254.71 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 82482100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).