2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid

C15H17F3O4 — CID 68852749

IUPAC2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(OC(F)(F)F)cc1)C1(O)CCCCC1
InChIInChI=1S/C15H17F3O4/c16-15(17,18)22-11-6-4-10(5-7-11)12(13(19)20)14(21)8-2-1-3-9-14/h4-7,12,21H,1-3,8-9H2,(H,19,20)
InChIKeyUQXFLQAZOOTXEZ-UHFFFAOYSA-N
MW318.29 g/mol
LogP3.45
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid

2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 68852749) has the molecular formula C15H17F3O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
PubChem CID68852749
Molecular FormulaC15H17F3O4
Molecular Weight318.29 g/mol
Exact Mass318.11
IUPAC Name2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(OC(F)(F)F)cc1)C1(O)CCCCC1
InChIInChI=1S/C15H17F3O4/c16-15(17,18)22-11-6-4-10(5-7-11)12(13(19)20)14(21)8-2-1-3-9-14/h4-7,12,21H,1-3,8-9H2,(H,19,20)
InChIKeyUQXFLQAZOOTXEZ-UHFFFAOYSA-N
XLogP3.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 129389781
tert-butyl-[1-[2-(1-hydroxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]carbamic acid
CID 69095599
2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid
CID 68855874
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 129386467
4-[(2S)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylic acid
CID 174506052
[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol
CID 79124132
[4-(trifluoromethoxy)phenyl] 2-(1-hydroxycyclohexyl)acetate
CID 91574201
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964
1-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carbonitrile
CID 79136457
4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 16656274
2-(3-bromo-4-methoxyphenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68854196

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid (CID 68852749) is 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid is O=C(O)C(c1ccc(OC(F)(F)F)cc1)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is UQXFLQAZOOTXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O4/c16-15(17,18)22-11-6-4-10(5-7-11)12(13(19)20)14(21)8-2-1-3-9-14/h4-7,12,21H,1-3,8-9H2,(H,19,20).
What are the key properties of 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid?
2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 318.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 68852749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).