2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid

C13H16O3 — CID 84787396

IUPAC2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
SMILESCOCc1ccc(C2(CC(=O)O)CC2)cc1
InChIInChI=1S/C13H16O3/c1-16-9-10-2-4-11(5-3-10)13(6-7-13)8-12(14)15/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyCFTMPBIYOQABNJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.34
Rot. Bonds5

About 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid

2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid (PubChem CID 84787396) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
PubChem CID84787396
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
SMILESCOCc1ccc(C2(CC(=O)O)CC2)cc1
InChIInChI=1S/C13H16O3/c1-16-9-10-2-4-11(5-3-10)13(6-7-13)8-12(14)15/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyCFTMPBIYOQABNJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-[3-chloro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117389821
2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117373943
2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid
CID 117344925
2-[1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449952
2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
2-[1-(4-methylsulfonyloxyphenyl)cyclopropyl]acetic acid
CID 117428980
2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
CID 117466059
2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117344690
2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
CID 117487334
2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117434415
2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
CID 117438634

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid (CID 84787396) is 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid is COCc1ccc(C2(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is CFTMPBIYOQABNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-16-9-10-2-4-11(5-3-10)13(6-7-13)8-12(14)15/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 84787396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).