1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid

C16H22O3 — CID 117410597

IUPAC1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)Cc1ccc(O)c(C2(C(=O)O)CCC2)c1
InChIInChI=1S/C16H22O3/c1-15(2,3)10-11-5-6-13(17)12(9-11)16(14(18)19)7-4-8-16/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyVKGOMNGYIXAOMM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.49
Rot. Bonds3

About 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid

1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid (PubChem CID 117410597) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid
PubChem CID117410597
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)Cc1ccc(O)c(C2(C(=O)O)CCC2)c1
InChIInChI=1S/C16H22O3/c1-15(2,3)10-11-5-6-13(17)12(9-11)16(14(18)19)7-4-8-16/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyVKGOMNGYIXAOMM-UHFFFAOYSA-N
XLogP3.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117489779
2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol
CID 117339277
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
1-(4-tert-butyl-5-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117410599
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117328262
1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117489786
1-[5-[(dimethylamino)methyl]-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412822
1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
CID 117322078
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117348913

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid (CID 117410597) is 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid is CC(C)(C)Cc1ccc(O)c(C2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid?
The InChIKey is VKGOMNGYIXAOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2,3)10-11-5-6-13(17)12(9-11)16(14(18)19)7-4-8-16/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid?
1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117410597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).