1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid

C18H15F3O3 — CID 154940878

IUPAC1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid
SMILESCc1ccc(-c2cccc(C(F)(F)F)c2)c(OC2(C(=O)O)CC2)c1
InChIInChI=1S/C18H15F3O3/c1-11-5-6-14(12-3-2-4-13(10-12)18(19,20)21)15(9-11)24-17(7-8-17)16(22)23/h2-6,9-10H,7-8H2,1H3,(H,22,23)
InChIKeyZYDGGHXGBWYHPH-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.68
Rot. Bonds4

About 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid

1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid (PubChem CID 154940878) has the molecular formula C18H15F3O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid
PubChem CID154940878
Molecular FormulaC18H15F3O3
Molecular Weight336.31 g/mol
Exact Mass336.10
IUPAC Name1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid
SMILESCc1ccc(-c2cccc(C(F)(F)F)c2)c(OC2(C(=O)O)CC2)c1
InChIInChI=1S/C18H15F3O3/c1-11-5-6-14(12-3-2-4-13(10-12)18(19,20)21)15(9-11)24-17(7-8-17)16(22)23/h2-6,9-10H,7-8H2,1H3,(H,22,23)
InChIKeyZYDGGHXGBWYHPH-UHFFFAOYSA-N
XLogP4.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
CID 83920700
3-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 68949773
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
3-(2,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879381
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxamide
CID 154940873
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333245
methyl 2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]benzoate
CID 134622903

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid (CID 154940878) is 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid is Cc1ccc(-c2cccc(C(F)(F)F)c2)c(OC2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid?
The InChIKey is ZYDGGHXGBWYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O3/c1-11-5-6-14(12-3-2-4-13(10-12)18(19,20)21)15(9-11)24-17(7-8-17)16(22)23/h2-6,9-10H,7-8H2,1H3,(H,22,23).
What are the key properties of 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid?
1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid has a molecular weight of 336.31 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154940878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).