1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid

C17H24O3 — CID 117442709

IUPAC1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
SMILESCCc1ccc(C(C)C)c(C2(C(=O)O)CCC2)c1OC
InChIInChI=1S/C17H24O3/c1-5-12-7-8-13(11(2)3)14(15(12)20-4)17(16(18)19)9-6-10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19)
InChIKeySJMQYIYNGLYADY-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid

1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117442709) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117442709
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
SMILESCCc1ccc(C(C)C)c(C2(C(=O)O)CCC2)c1OC
InChIInChI=1S/C17H24O3/c1-5-12-7-8-13(11(2)3)14(15(12)20-4)17(16(18)19)9-6-10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19)
InChIKeySJMQYIYNGLYADY-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117410609
[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117442710
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117442725
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117374425
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383747
1-(2-chloro-3-ethyl-6-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117458250
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid (CID 117442709) is 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid is CCc1ccc(C(C)C)c(C2(C(=O)O)CCC2)c1OC.
What is the InChIKey of 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is SJMQYIYNGLYADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-5-12-7-8-13(11(2)3)14(15(12)20-4)17(16(18)19)9-6-10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,19).
What are the key properties of 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid?
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117442709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).