2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid

C12H14O4 — CID 112547416

IUPAC2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(OCC2CC2C(=O)O)c1
InChIInChI=1S/C12H14O4/c1-15-9-3-2-4-10(6-9)16-7-8-5-11(8)12(13)14/h2-4,6,8,11H,5,7H2,1H3,(H,13,14)
InChIKeyBIWIPDKZMDBTAJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.79
Rot. Bonds5

About 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid

2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid (PubChem CID 112547416) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
PubChem CID112547416
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(OCC2CC2C(=O)O)c1
InChIInChI=1S/C12H14O4/c1-15-9-3-2-4-10(6-9)16-7-8-5-11(8)12(13)14/h2-4,6,8,11H,5,7H2,1H3,(H,13,14)
InChIKeyBIWIPDKZMDBTAJ-UHFFFAOYSA-N
XLogP1.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid
CID 142960750
cis-(1R,2R)-2-[[4-(3-methoxy-5-propan-2-yloxyphenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386864
trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665
2-[(4-tert-butylphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547454
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid
CID 106497082
cis-methyl (1R,2R)-2-[(3-amino-5-methoxyphenoxy)methyl]cyclopropane-1-carboxylate
CID 142476791
(1R)-2-[2-(3-methoxyphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 129467299
1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
CID 156611450
3-cyclopropyl-3-[3-[[2-(3-methoxyphenyl)cyclopropyl]methoxy]phenyl]propanoic acid
CID 118296149
2-[[4-[2-fluoro-5-(3-fluorophenoxy)phenyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386989
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid (CID 112547416) is 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid is COc1cccc(OCC2CC2C(=O)O)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is BIWIPDKZMDBTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-15-9-3-2-4-10(6-9)16-7-8-5-11(8)12(13)14/h2-4,6,8,11H,5,7H2,1H3,(H,13,14).
What are the key properties of 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid?
2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112547416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).