1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid

C17H22O3 — CID 117114147

IUPAC1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
SMILESCOCC1(c2ccccc2C2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C17H22O3/c1-20-12-16(10-11-16)13-6-2-3-7-14(13)17(15(18)19)8-4-5-9-17/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,19)
InChIKeyMTJSUTGHIMSENG-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid

1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117114147) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
PubChem CID117114147
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
SMILESCOCC1(c2ccccc2C2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C17H22O3/c1-20-12-16(10-11-16)13-6-2-3-7-14(13)17(15(18)19)8-4-5-9-17/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,19)
InChIKeyMTJSUTGHIMSENG-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid
CID 117114855
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117415224
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone
CID 117108293
4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid
CID 117115970
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
CID 117117011
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-(2-pentan-3-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438771

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid (CID 117114147) is 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid is COCC1(c2ccccc2C2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is MTJSUTGHIMSENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-20-12-16(10-11-16)13-6-2-3-7-14(13)17(15(18)19)8-4-5-9-17/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,19).
What are the key properties of 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid?
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117114147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).