2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid

C13H16O3 — CID 105344863

IUPAC2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COCC2CC2)cc1
InChIInChI=1S/C13H16O3/c14-13(15)7-10-1-3-11(4-2-10)8-16-9-12-5-6-12/h1-4,12H,5-9H2,(H,14,15)
InChIKeyILBQKGQSFLHUJL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.24
Rot. Bonds6

About 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid

2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid (PubChem CID 105344863) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
PubChem CID105344863
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COCC2CC2)cc1
InChIInChI=1S/C13H16O3/c14-13(15)7-10-1-3-11(4-2-10)8-16-9-12-5-6-12/h1-4,12H,5-9H2,(H,14,15)
InChIKeyILBQKGQSFLHUJL-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831
2-[4-(cyclopentylmethoxymethyl)phenyl]propanoic acid
CID 105344994
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 105344934
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyacetic acid
CID 155437936
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]acetic acid
CID 105345021
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid (CID 105344863) is 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid is O=C(O)Cc1ccc(COCC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid?
The InChIKey is ILBQKGQSFLHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-13(15)7-10-1-3-11(4-2-10)8-16-9-12-5-6-12/h1-4,12H,5-9H2,(H,14,15).
What are the key properties of 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid?
2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid is sourced from PubChem (CID 105344863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).