3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid

C14H18O3 — CID 117114855

IUPAC3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid
SMILESCOCC1(c2ccccc2CCC(=O)O)CC1
InChIInChI=1S/C14H18O3/c1-17-10-14(8-9-14)12-5-3-2-4-11(12)6-7-13(15)16/h2-5H,6-10H2,1H3,(H,15,16)
InChIKeyDPLVLVOTVKPLMH-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.38
Rot. Bonds6

About 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid

3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid (PubChem CID 117114855) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid
PubChem CID117114855
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid
SMILESCOCC1(c2ccccc2CCC(=O)O)CC1
InChIInChI=1S/C14H18O3/c1-17-10-14(8-9-14)12-5-3-2-4-11(12)6-7-13(15)16/h2-5H,6-10H2,1H3,(H,15,16)
InChIKeyDPLVLVOTVKPLMH-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine
CID 117115655
3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid
CID 117114834
4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid
CID 117115970
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
CID 117114147
2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117344690
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone
CID 117108293
methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
CID 117117011
2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol
CID 117113680
3-[2-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117405464
3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid
CID 139017034

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid?
The IUPAC name of 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid (CID 117114855) is 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid is COCC1(c2ccccc2CCC(=O)O)CC1.
What is the InChIKey of 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid?
The InChIKey is DPLVLVOTVKPLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-10-14(8-9-14)12-5-3-2-4-11(12)6-7-13(15)16/h2-5H,6-10H2,1H3,(H,15,16).
What are the key properties of 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid?
3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid has a molecular weight of 234.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid is sourced from PubChem (CID 117114855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).