2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol

C16H16F3NO3 — CID 51047362

IUPAC2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol
SMILESCCOc1cccc(CNc2ccc(OC(F)(F)F)cc2)c1O
InChIInChI=1S/C16H16F3NO3/c1-2-22-14-5-3-4-11(15(14)21)10-20-12-6-8-13(9-7-12)23-16(17,18)19/h3-9,20-21H,2,10H2,1H3
InChIKeyBGGSTCMOMGTXRR-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.30
Rot. Bonds6

About 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol

2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol (PubChem CID 51047362) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol
PubChem CID51047362
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC Name2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol
SMILESCCOc1cccc(CNc2ccc(OC(F)(F)F)cc2)c1O
InChIInChI=1S/C16H16F3NO3/c1-2-22-14-5-3-4-11(15(14)21)10-20-12-6-8-13(9-7-12)23-16(17,18)19/h3-9,20-21H,2,10H2,1H3
InChIKeyBGGSTCMOMGTXRR-UHFFFAOYSA-N
XLogP4.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(trifluoromethoxy)anilino]methyl]benzene-1,2-diol
CID 61318857
2-chloro-6-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 115904069
2-[(3,5-dichloro-4-fluoroanilino)methyl]-6-ethoxyphenol
CID 107572598
2-ethoxy-6-[(3-iodoanilino)methyl]phenol
CID 28977257
2-[(3-bromo-5-methylanilino)methyl]-6-ethoxyphenol
CID 104938251
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43534946
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
4-fluoro-2-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 103947759
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol (CID 51047362) is 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol is CCOc1cccc(CNc2ccc(OC(F)(F)F)cc2)c1O.
What is the InChIKey of 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol?
The InChIKey is BGGSTCMOMGTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3/c1-2-22-14-5-3-4-11(15(14)21)10-20-12-6-8-13(9-7-12)23-16(17,18)19/h3-9,20-21H,2,10H2,1H3.
What are the key properties of 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol?
2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol has a molecular weight of 327.30 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol is sourced from PubChem (CID 51047362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).