2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid

C15H20O3 — CID 65498253

IUPAC2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCC(C)c1cccc(OCC2(CC(=O)O)CC2)c1
InChIInChI=1S/C15H20O3/c1-11(2)12-4-3-5-13(8-12)18-10-15(6-7-15)9-14(16)17/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyNGKTZAWKCCZMMS-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.44
Rot. Bonds6

About 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65498253) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65498253
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCC(C)c1cccc(OCC2(CC(=O)O)CC2)c1
InChIInChI=1S/C15H20O3/c1-11(2)12-4-3-5-13(8-12)18-10-15(6-7-15)9-14(16)17/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyNGKTZAWKCCZMMS-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
CID 65497401
4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
CID 59174612
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550
4-(3-propan-2-ylphenoxy)butanoyl chloride
CID 82041570
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 113303039
3-[4-[[1-[(3-methylphenoxy)methyl]cyclopropyl]methoxy]phenyl]hex-4-ynoic acid
CID 58031857
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
4-oxo-4-(3-propan-2-ylphenoxy)butanoic acid
CID 94263248

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid (CID 65498253) is 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid is CC(C)c1cccc(OCC2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is NGKTZAWKCCZMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)12-4-3-5-13(8-12)18-10-15(6-7-15)9-14(16)17/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 248.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).