1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid

C15H20O3 — CID 65016675

IUPAC1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CC(C(C)C)C2)c1
InChIInChI=1S/C15H20O3/c1-10(2)11-8-15(9-11,14(16)17)12-5-4-6-13(7-12)18-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyHHFGJGFIRDEILU-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.08
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid

1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid (PubChem CID 65016675) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
PubChem CID65016675
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CC(C(C)C)C2)c1
InChIInChI=1S/C15H20O3/c1-10(2)11-8-15(9-11,14(16)17)12-5-4-6-13(7-12)18-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyHHFGJGFIRDEILU-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009647
1-(2-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65017177
ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 143857791
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563491
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
4-(3-methoxyphenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63939230

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid (CID 65016675) is 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid is COc1cccc(C2(C(=O)O)CC(C(C)C)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The InChIKey is HHFGJGFIRDEILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(2)11-8-15(9-11,14(16)17)12-5-4-6-13(7-12)18-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid?
1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65016675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).