1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid

C14H18O3 — CID 65000873

IUPAC1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
SMILESCOc1ccccc1C1(C(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H18O3/c1-13(2)8-14(9-13,12(15)16)10-6-4-5-7-11(10)17-3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyGFHNGWYKCVTGCR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid

1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid (PubChem CID 65000873) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
PubChem CID65000873
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
SMILESCOc1ccccc1C1(C(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H18O3/c1-13(2)8-14(9-13,12(15)16)10-6-4-5-7-11(10)17-3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyGFHNGWYKCVTGCR-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-(2-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353394
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65017177
1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013802
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749
1-(2-methoxyphenyl)-N,N-dimethylcyclobutane-1-carboxamide
CID 110436778
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220664
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117393640
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid (CID 65000873) is 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid is COc1ccccc1C1(C(=O)O)CC(C)(C)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is GFHNGWYKCVTGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-13(2)8-14(9-13,12(15)16)10-6-4-5-7-11(10)17-3/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid?
1-(2-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-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65000873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).