2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

C17H14F3N3O2 — CID 66874045

IUPAC2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESC=CCc1cc(OC)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C17H14F3N3O2/c1-3-4-10-7-14(16(24)15(8-10)25-2)23-21-12-6-5-11(17(18,19)20)9-13(12)22-23/h3,5-9,24H,1,4H2,2H3
InChIKeySQESLWYYULZFSB-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.88
Rot. Bonds4

About 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 66874045) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID66874045
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESC=CCc1cc(OC)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C17H14F3N3O2/c1-3-4-10-7-14(16(24)15(8-10)25-2)23-21-12-6-5-11(17(18,19)20)9-13(12)22-23/h3,5-9,24H,1,4H2,2H3
InChIKeySQESLWYYULZFSB-UHFFFAOYSA-N
XLogP3.88
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 22506032
2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672844
3-[4-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propyl prop-2-enoate
CID 22034026
2-(1,1-diphenylethyl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 12010655
3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]prop-2-enal
CID 141007728
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-[4-methoxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoate
CID 58911445
2-[[2-hydroxy-5-(2-methylheptan-2-yl)-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]methyl]-4-(2-methylheptan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 22507652
2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
CID 127035403
3-trimethylsilylpropyl 3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoate
CID 162549073
1-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-4-ethyl-4-methylheptan-3-one
CID 89159710
2,4-di(propan-2-yl)-6-[2-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]phenol
CID 150816010
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 66874045) is 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is C=CCc1cc(OC)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1.
What is the InChIKey of 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is SQESLWYYULZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-3-4-10-7-14(16(24)15(8-10)25-2)23-21-12-6-5-11(17(18,19)20)9-13(12)22-23/h3,5-9,24H,1,4H2,2H3.
What are the key properties of 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 349.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 66874045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).