3-[4-(cyclopropylmethoxy)phenyl]propanoic acid

C13H16O3 — CID 25019180

IUPAC3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2CC2)cc1
InChIInChI=1S/C13H16O3/c14-13(15)8-5-10-3-6-12(7-4-10)16-9-11-1-2-11/h3-4,6-7,11H,1-2,5,8-9H2,(H,14,15)
InChIKeyPIGOSVBIKWKLOF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.49
Rot. Bonds6

About 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid

3-[4-(cyclopropylmethoxy)phenyl]propanoic acid (PubChem CID 25019180) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
PubChem CID25019180
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2CC2)cc1
InChIInChI=1S/C13H16O3/c14-13(15)8-5-10-3-6-12(7-4-10)16-9-11-1-2-11/h3-4,6-7,11H,1-2,5,8-9H2,(H,14,15)
InChIKeyPIGOSVBIKWKLOF-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid
CID 117095209
3-[4-[(3,3-dimethylcyclodecyl)methoxy]phenyl]propanoic acid
CID 143797232
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
1-[4-[(4-propylphenoxy)methyl]cyclohexyl]pentan-1-one
CID 70444198
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
3-(4-hydroperoxyphenyl)propanoic acid
CID 87907656
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid
CID 122040142
1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
CID 22416597
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid?
The IUPAC name of 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid (CID 25019180) is 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid is O=C(O)CCc1ccc(OCC2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid?
The InChIKey is PIGOSVBIKWKLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-13(15)8-5-10-3-6-12(7-4-10)16-9-11-1-2-11/h3-4,6-7,11H,1-2,5,8-9H2,(H,14,15).
What are the key properties of 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid?
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 25019180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).