1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid

C14H18O2 — CID 117311256

IUPAC1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C)c(C)c(C2(C(=O)O)CCC2)c1
InChIInChI=1S/C14H18O2/c1-9-7-10(2)11(3)12(8-9)14(13(15)16)5-4-6-14/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyFFLZQEMTHJHXMR-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.12
Rot. Bonds2

About 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid

1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117311256) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117311256
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C)c(C)c(C2(C(=O)O)CCC2)c1
InChIInChI=1S/C14H18O2/c1-9-7-10(2)11(3)12(8-9)14(13(15)16)5-4-6-14/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyFFLZQEMTHJHXMR-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117405451
1-(2,3-dimethoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117379031
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(4-fluoro-2-formyl-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344418
1-(3-bromo-5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117462812
1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid
CID 84774040
1-(3-bromo-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481805
1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117292393
1-(3-chloro-2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454417

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid (CID 117311256) is 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid is Cc1cc(C)c(C)c(C2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is FFLZQEMTHJHXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-7-10(2)11(3)12(8-9)14(13(15)16)5-4-6-14/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid?
1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117311256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).