2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid

C13H16O3 — CID 63271050

IUPAC2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(CC2(C)CC2C(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-13(8-11(13)12(14)15)7-9-3-5-10(16-2)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyZDADOVBWJBGFOY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.35
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid

2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid (PubChem CID 63271050) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
PubChem CID63271050
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(CC2(C)CC2C(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-13(8-11(13)12(14)15)7-9-3-5-10(16-2)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyZDADOVBWJBGFOY-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 71756717
(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 129362220
2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500707
3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane
CID 175415747
2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid
CID 63086194
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 7959638
(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid
CID 125490358
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid (CID 63271050) is 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid is COc1ccc(CC2(C)CC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is ZDADOVBWJBGFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(8-11(13)12(14)15)7-9-3-5-10(16-2)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid?
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 63271050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).