2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol

C19H15N3O — CID 70182410

IUPAC2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol
SMILESCc1cc(-n2nc3ccccc3n2)ccc1-c1ccccc1O
InChIInChI=1S/C19H15N3O/c1-13-12-14(22-20-17-7-3-4-8-18(17)21-22)10-11-15(13)16-6-2-5-9-19(16)23/h2-12,23H,1H3
InChIKeyCKCGFOHWPXJAEZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.10
Rot. Bonds2

About 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol

2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol (PubChem CID 70182410) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol.

Molecular Properties

Compound Name2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol
PubChem CID70182410
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol
SMILESCc1cc(-n2nc3ccccc3n2)ccc1-c1ccccc1O
InChIInChI=1S/C19H15N3O/c1-13-12-14(22-20-17-7-3-4-8-18(17)21-22)10-11-15(13)16-6-2-5-9-19(16)23/h2-12,23H,1H3
InChIKeyCKCGFOHWPXJAEZ-UHFFFAOYSA-N
XLogP4.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol?
The IUPAC name of 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol (CID 70182410) is 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol.
What is the SMILES notation for 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol?
The canonical SMILES for 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol is Cc1cc(-n2nc3ccccc3n2)ccc1-c1ccccc1O.
What is the InChIKey of 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol?
The InChIKey is CKCGFOHWPXJAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-12-14(22-20-17-7-3-4-8-18(17)21-22)10-11-15(13)16-6-2-5-9-19(16)23/h2-12,23H,1H3.
What are the key properties of 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol?
2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol has a molecular weight of 301.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol is sourced from PubChem (CID 70182410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).