1-(3-methylphenoxy)cyclopropane-1-carboxylic acid

C11H12O3 — CID 83920700

IUPAC1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
SMILESCc1cccc(OC2(C(=O)O)CC2)c1
InChIInChI=1S/C11H12O3/c1-8-3-2-4-9(7-8)14-11(5-6-11)10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeySJAZPUYLWDTHRM-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid

1-(3-methylphenoxy)cyclopropane-1-carboxylic acid (PubChem CID 83920700) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
PubChem CID83920700
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
SMILESCc1cccc(OC2(C(=O)O)CC2)c1
InChIInChI=1S/C11H12O3/c1-8-3-2-4-9(7-8)14-11(5-6-11)10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeySJAZPUYLWDTHRM-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenoxy)thiolane-3-carboxylic acid
CID 82236589
1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
CID 56883083
4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
CID 70788551
4-(3-methylphenoxy)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 70711344
1-[2-(5-methyl-3,4-dihydropyrazol-2-yl)acetyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
CID 56900428
1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
CID 82131344
4-(3-methylphenoxy)-1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 56890009
4-(3-formylphenoxy)oxane-4-carboxylic acid
CID 87405830
1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82086841
1-(3-methylphenoxy)cyclobutan-1-amine
CID 46835645
[1-(3-methylphenoxy)cyclopropyl]methanamine
CID 83920734
4-phenoxypiperidine-4-carboxylic acid;hydrochloride
CID 146675465

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid (CID 83920700) is 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid is Cc1cccc(OC2(C(=O)O)CC2)c1.
What is the InChIKey of 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid?
The InChIKey is SJAZPUYLWDTHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-3-2-4-9(7-8)14-11(5-6-11)10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid?
1-(3-methylphenoxy)cyclopropane-1-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83920700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).