2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid

C15H20O3 — CID 82480271

IUPAC2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
SMILESCOc1c(C)cc(C(C(=O)O)C2CC2)c(C)c1C
InChIInChI=1S/C15H20O3/c1-8-7-12(9(2)10(3)14(8)18-4)13(15(16)17)11-5-6-11/h7,11,13H,5-6H2,1-4H3,(H,16,17)
InChIKeyKURCCXCIPBRNEE-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.20
Rot. Bonds4

About 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid

2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid (PubChem CID 82480271) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
PubChem CID82480271
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
SMILESCOc1c(C)cc(C(C(=O)O)C2CC2)c(C)c1C
InChIInChI=1S/C15H20O3/c1-8-7-12(9(2)10(3)14(8)18-4)13(15(16)17)11-5-6-11/h7,11,13H,5-6H2,1-4H3,(H,16,17)
InChIKeyKURCCXCIPBRNEE-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.20
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-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
CID 82024066
2-(2-bromo-4,5-dimethoxyphenyl)-2-cyclopropylacetic acid
CID 175668604
3-cyclopropyl-3-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 117415157
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181
(E)-4-amino-4-(4-methoxy-2,3,5-trimethylphenyl)but-2-enoic acid
CID 116940873
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
(E)-4-(4-methoxy-2,3,5-trimethylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956328

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid (CID 82480271) is 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid is COc1c(C)cc(C(C(=O)O)C2CC2)c(C)c1C.
What is the InChIKey of 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid?
The InChIKey is KURCCXCIPBRNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-7-12(9(2)10(3)14(8)18-4)13(15(16)17)11-5-6-11/h7,11,13H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid?
2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid has a molecular weight of 248.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid is sourced from PubChem (CID 82480271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).