2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid

C14H18O4 — CID 65498468

IUPAC2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
SMILESCCOc1ccccc1OCC1(CC(=O)O)CC1
InChIInChI=1S/C14H18O4/c1-2-17-11-5-3-4-6-12(11)18-10-14(7-8-14)9-13(15)16/h3-6H,2,7-10H2,1H3,(H,15,16)
InChIKeyNIDSFSVEKBOEIF-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.72
Rot. Bonds7

About 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65498468) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65498468
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
SMILESCCOc1ccccc1OCC1(CC(=O)O)CC1
InChIInChI=1S/C14H18O4/c1-2-17-11-5-3-4-6-12(11)18-10-14(7-8-14)9-13(15)16/h3-6H,2,7-10H2,1H3,(H,15,16)
InChIKeyNIDSFSVEKBOEIF-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid
CID 65497398
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 31616843
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 113303039
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82131439
2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65498478
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid (CID 65498468) is 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid is CCOc1ccccc1OCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is NIDSFSVEKBOEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-17-11-5-3-4-6-12(11)18-10-14(7-8-14)9-13(15)16/h3-6H,2,7-10H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).