2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

C20H22O3 — CID 83937325

IUPAC2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1cc(Oc2ccccc2)ccc1CC(C)C1CC1C(=O)O
InChIInChI=1S/C20H22O3/c1-13-11-17(23-16-6-4-3-5-7-16)9-8-15(13)10-14(2)18-12-19(18)20(21)22/h3-9,11,14,18-19H,10,12H2,1-2H3,(H,21,22)
InChIKeyAACQXEYDXQBFQW-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.69
Rot. Bonds6

About 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83937325) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83937325
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1cc(Oc2ccccc2)ccc1CC(C)C1CC1C(=O)O
InChIInChI=1S/C20H22O3/c1-13-11-17(23-16-6-4-3-5-7-16)9-8-15(13)10-14(2)18-12-19(18)20(21)22/h3-9,11,14,18-19H,10,12H2,1-2H3,(H,21,22)
InChIKeyAACQXEYDXQBFQW-UHFFFAOYSA-N
XLogP4.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928092
2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83923837
2-[1-(2,5-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83931438
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83930911
2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83943685
2-[1-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928708
2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372
3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 129220866
2-[1-(4-hexoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83932772
4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086
2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928582

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 83937325) is 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is Cc1cc(Oc2ccccc2)ccc1CC(C)C1CC1C(=O)O.
What is the InChIKey of 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is AACQXEYDXQBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-13-11-17(23-16-6-4-3-5-7-16)9-8-15(13)10-14(2)18-12-19(18)20(21)22/h3-9,11,14,18-19H,10,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83937325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).