4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol

C26H29N3O2 — CID 19389425

IUPAC4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol
SMILESCCCCCCC(C)Oc1ccc(O)c(-n2nc3ccc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C26H29N3O2/c1-3-4-5-7-10-19(2)31-22-14-16-26(30)25(18-22)29-27-23-15-13-21(17-24(23)28-29)20-11-8-6-9-12-20/h6,8-9,11-19,30H,3-5,7,10H2,1-2H3
InChIKeySHJQQNJSTNGEKE-UHFFFAOYSA-N
MW415.54 g/mol
LogP6.53
Rot. Bonds9

About 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol

4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol (PubChem CID 19389425) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol
PubChem CID19389425
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol
SMILESCCCCCCC(C)Oc1ccc(O)c(-n2nc3ccc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C26H29N3O2/c1-3-4-5-7-10-19(2)31-22-14-16-26(30)25(18-22)29-27-23-15-13-21(17-24(23)28-29)20-11-8-6-9-12-20/h6,8-9,11-19,30H,3-5,7,10H2,1-2H3
InChIKeySHJQQNJSTNGEKE-UHFFFAOYSA-N
XLogP6.53
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyphenyl)-4-[(2S)-octan-2-yl]oxyphenol
CID 139993636
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
decan-2-yloxybenzene
CID 12838331
2-hydroxy-5-octadecan-2-yloxybenzenesulfonic acid
CID 88705531
2-(benzotriazol-2-yl)-5-(2-propyloctoxy)phenol
CID 22131584
2-nitro-4-octan-2-yloxyphenol
CID 22922931
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-1-octan-2-yloxybutan-2-one
CID 163582279
(4-phenylphenyl) 2-methyloctanoate
CID 20667906
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810

Frequently Asked Questions

What is the IUPAC name of 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol?
The IUPAC name of 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol (CID 19389425) is 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol.
What is the SMILES notation for 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol?
The canonical SMILES for 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol is CCCCCCC(C)Oc1ccc(O)c(-n2nc3ccc(-c4ccccc4)cc3n2)c1.
What is the InChIKey of 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol?
The InChIKey is SHJQQNJSTNGEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-4-5-7-10-19(2)31-22-14-16-26(30)25(18-22)29-27-23-15-13-21(17-24(23)28-29)20-11-8-6-9-12-20/h6,8-9,11-19,30H,3-5,7,10H2,1-2H3.
What are the key properties of 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol?
4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol has a molecular weight of 415.54 g/mol, XLogP of 6.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octan-2-yloxy-2-(5-phenylbenzotriazol-2-yl)phenol is sourced from PubChem (CID 19389425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).