2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol

C28H25N3O3 — CID 152598863

IUPAC2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol
SMILESCOc1ccc(Cc2cc(Cc3ccc(OC)cc3)c(O)c(-n3nc4ccccc4n3)c2)cc1
InChIInChI=1S/C28H25N3O3/c1-33-23-11-7-19(8-12-23)15-21-17-22(16-20-9-13-24(34-2)14-10-20)28(32)27(18-21)31-29-25-5-3-4-6-26(25)30-31/h3-14,17-18,32H,15-16H2,1-2H3
InChIKeyYXBWARHQNWVRDQ-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.32
Rot. Bonds7

About 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol

2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol (PubChem CID 152598863) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol
PubChem CID152598863
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol
SMILESCOc1ccc(Cc2cc(Cc3ccc(OC)cc3)c(O)c(-n3nc4ccccc4n3)c2)cc1
InChIInChI=1S/C28H25N3O3/c1-33-23-11-7-19(8-12-23)15-21-17-22(16-20-9-13-24(34-2)14-10-20)28(32)27(18-21)31-29-25-5-3-4-6-26(25)30-31/h3-14,17-18,32H,15-16H2,1-2H3
InChIKeyYXBWARHQNWVRDQ-UHFFFAOYSA-N
XLogP5.32
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol
CID 132568547
2-(benzotriazol-2-yl)-4,6-dibutylphenol
CID 12837390
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(3-hydroxypropyl)phenyl]methyl]-4-(3-hydroxypropyl)phenol
CID 66593002
2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 20596233
2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol
CID 67857797
2-[3-(benzotriazol-2-yl)-5-[[3-(benzotriazol-2-yl)-2-hydroxy-5-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]methyl]-4-hydroxyphenyl]ethyl 2-methylprop-2-enoate
CID 18474465
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(1-hydroxyethyl)phenyl]methyl]-4-(1-hydroxyethyl)phenol
CID 18521144
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol
CID 146444364
4-(benzotriazol-2-yl)-2,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 88765694
2-(benzotriazol-2-yl)-6-decyl-4-propylphenol
CID 164590219
4-(aminomethyl)-2-(benzotriazol-2-yl)-6-prop-2-enylphenol
CID 174911432
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol (CID 152598863) is 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol is COc1ccc(Cc2cc(Cc3ccc(OC)cc3)c(O)c(-n3nc4ccccc4n3)c2)cc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol?
The InChIKey is YXBWARHQNWVRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-33-23-11-7-19(8-12-23)15-21-17-22(16-20-9-13-24(34-2)14-10-20)28(32)27(18-21)31-29-25-5-3-4-6-26(25)30-31/h3-14,17-18,32H,15-16H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol?
2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol has a molecular weight of 451.53 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol is sourced from PubChem (CID 152598863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).