4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

C16H14F3N3O2 — CID 22034005

IUPAC4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESOCCCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-5-12-13(9-11)21-22(20-12)14-8-10(2-1-7-23)3-6-15(14)24/h3-6,8-9,23-24H,1-2,7H2
InChIKeyWMBMNOPFBSLJLS-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.07
Rot. Bonds4

About 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 22034005) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID22034005
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESOCCCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-5-12-13(9-11)21-22(20-12)14-8-10(2-1-7-23)3-6-15(14)24/h3-6,8-9,23-24H,1-2,7H2
InChIKeyWMBMNOPFBSLJLS-UHFFFAOYSA-N
XLogP3.07
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 22034005) is 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is OCCCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1.
What is the InChIKey of 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is WMBMNOPFBSLJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-5-12-13(9-11)21-22(20-12)14-8-10(2-1-7-23)3-6-15(14)24/h3-6,8-9,23-24H,1-2,7H2.
What are the key properties of 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 337.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 22034005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).