2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid

C19H16F3NO4 — CID 67243201

IUPAC2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)cn2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H16F3NO4/c1-26-14-5-6-17-16(9-14)13(8-18(24)25)11-23(17)10-12-3-2-4-15(7-12)27-19(20,21)22/h2-7,9,11H,8,10H2,1H3,(H,24,25)
InChIKeyKFXRLVSRFYJZAU-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.22
Rot. Bonds6

About 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid

2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid (PubChem CID 67243201) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid
PubChem CID67243201
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)cn2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H16F3NO4/c1-26-14-5-6-17-16(9-14)13(8-18(24)25)11-23(17)10-12-3-2-4-15(7-12)27-19(20,21)22/h2-7,9,11H,8,10H2,1H3,(H,24,25)
InChIKeyKFXRLVSRFYJZAU-UHFFFAOYSA-N
XLogP4.22
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
2-[1-benzyl-5-(trifluoromethoxy)indol-3-yl]-2-oxoacetic acid
CID 10133300
4-[[3-(2-aminoethyl)-5-[(3-methoxyphenyl)methoxy]indol-1-yl]methyl]benzoic acid
CID 70053001
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
2-[1-benzyl-5-[3-(3-phenoxyphenoxy)propoxy]indol-3-yl]acetic acid
CID 122183553
2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
CID 152523745
2-[1-benzyl-5-[3-[3-(4-methylphenoxy)phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183554
2-[1-benzyl-5-[3-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
CID 10138077
2-[(1-benzyl-5-methoxyindol-3-yl)methylamino]-2-phenylacetic acid
CID 19796681

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid (CID 67243201) is 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid is COc1ccc2c(c1)c(CC(=O)O)cn2Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid?
The InChIKey is KFXRLVSRFYJZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-26-14-5-6-17-16(9-14)13(8-18(24)25)11-23(17)10-12-3-2-4-15(7-12)27-19(20,21)22/h2-7,9,11H,8,10H2,1H3,(H,24,25).
What are the key properties of 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid?
2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid has a molecular weight of 379.33 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid is sourced from PubChem (CID 67243201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).