1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid

C15H20O4 — CID 116929511

IUPAC1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(C)c(CC2(C(=O)O)CCC2)cc1OC
InChIInChI=1S/C15H20O4/c1-10-7-12(18-2)13(19-3)8-11(10)9-15(14(16)17)5-4-6-15/h7-8H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyUOCRZTDYOHFJBW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.81
Rot. Bonds5

About 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid

1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116929511) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116929511
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid
SMILESCOc1cc(C)c(CC2(C(=O)O)CCC2)cc1OC
InChIInChI=1S/C15H20O4/c1-10-7-12(18-2)13(19-3)8-11(10)9-15(14(16)17)5-4-6-15/h7-8H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyUOCRZTDYOHFJBW-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4,5-trimethylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82295399
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
CID 91113458
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246521
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
1-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 94277738
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921139

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid (CID 116929511) is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid is COc1cc(C)c(CC2(C(=O)O)CCC2)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is UOCRZTDYOHFJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10-7-12(18-2)13(19-3)8-11(10)9-15(14(16)17)5-4-6-15/h7-8H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid?
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116929511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).