2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid

C13H16O3 — CID 65496133

IUPAC2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(COCc2ccccc2)CC1
InChIInChI=1S/C13H16O3/c14-12(15)8-13(6-7-13)10-16-9-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)
InChIKeyXVPDQSNAFSQHGE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.46
Rot. Bonds6

About 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid

2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid (PubChem CID 65496133) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
PubChem CID65496133
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(COCc2ccccc2)CC1
InChIInChI=1S/C13H16O3/c14-12(15)8-13(6-7-13)10-16-9-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)
InChIKeyXVPDQSNAFSQHGE-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(phenylmethoxymethylsulfinylmethyl)cyclopropyl]acetic acid
CID 102940258
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630
2-[1-(benzylsulfinylmethyl)cyclopropyl]acetic acid
CID 65444144
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
5-(bromomethyl)-5-(phenylmethoxymethyl)cycloheptene
CID 165445741
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
tert-butyl N-benzyl-N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]carbamate
CID 163885984

Frequently Asked Questions

What is the IUPAC name of 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid (CID 65496133) is 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid is O=C(O)CC1(COCc2ccccc2)CC1.
What is the InChIKey of 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid?
The InChIKey is XVPDQSNAFSQHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-12(15)8-13(6-7-13)10-16-9-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15).
What are the key properties of 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid?
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65496133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).