2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid

C13H16O3 — CID 175669177

IUPAC2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)C2CC2)c(C)c1
InChIInChI=1S/C13H16O3/c1-8-7-10(16-2)5-6-11(8)12(13(14)15)9-3-4-9/h5-7,9,12H,3-4H2,1-2H3,(H,14,15)
InChIKeyBPEPHCDQFDZVPD-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.58
Rot. Bonds4

About 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid

2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid (PubChem CID 175669177) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
PubChem CID175669177
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)C2CC2)c(C)c1
InChIInChI=1S/C13H16O3/c1-8-7-10(16-2)5-6-11(8)12(13(14)15)9-3-4-9/h5-7,9,12H,3-4H2,1-2H3,(H,14,15)
InChIKeyBPEPHCDQFDZVPD-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
CID 82480271
2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
CID 82024066
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid (CID 175669177) is 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid is COc1ccc(C(C(=O)O)C2CC2)c(C)c1.
What is the InChIKey of 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid?
The InChIKey is BPEPHCDQFDZVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-7-10(16-2)5-6-11(8)12(13(14)15)9-3-4-9/h5-7,9,12H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid?
2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.58, 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-methylphenyl)acetic acid is sourced from PubChem (CID 175669177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).