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

C18H18O3 — CID 65497398

IUPAC2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(COc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C18H18O3/c19-17(20)12-18(10-11-18)13-21-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20)
InChIKeyRMVRCRORYXUKQY-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.99
Rot. Bonds6

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

2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65497398) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65497398
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(COc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C18H18O3/c19-17(20)12-18(10-11-18)13-21-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20)
InChIKeyRMVRCRORYXUKQY-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
1-[(2-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212411
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
CID 103272411
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550
N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
CID 7732550
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
CID 65497401
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65495933
2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 113303039

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid (CID 65497398) is 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid is O=C(O)CC1(COc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is RMVRCRORYXUKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-17(20)12-18(10-11-18)13-21-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65497398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).