1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid

C14H18O3 — CID 65000749

IUPAC1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CC(C)(C)C2)cc1
InChIInChI=1S/C14H18O3/c1-13(2)8-14(9-13,12(15)16)10-4-6-11(17-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyWSUUJGZKEVLEPM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid

1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid (PubChem CID 65000749) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
PubChem CID65000749
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CC(C)(C)C2)cc1
InChIInChI=1S/C14H18O3/c1-13(2)8-14(9-13,12(15)16)10-4-6-11(17-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyWSUUJGZKEVLEPM-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 88598145
1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000873
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
CID 116871824
1-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000121
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
2-(4-methoxyphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158364
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
1-[4-(2-amino-4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039271
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid (CID 65000749) is 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid is COc1ccc(C2(C(=O)O)CC(C)(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is WSUUJGZKEVLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-13(2)8-14(9-13,12(15)16)10-4-6-11(17-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65000749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).