4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol

C23H27N3O3 — CID 158191256

IUPAC4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol
SMILESOc1ccc(-c2cc(OCC3CCCC3)c3nnn(C4CCCCO4)c3c2)cc1
InChIInChI=1S/C23H27N3O3/c27-19-10-8-17(9-11-19)18-13-20-23(21(14-18)29-15-16-5-1-2-6-16)24-25-26(20)22-7-3-4-12-28-22/h8-11,13-14,16,22,27H,1-7,12,15H2
InChIKeyIZYPTSMIOWRCOC-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.07
Rot. Bonds5

About 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol

4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol (PubChem CID 158191256) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol.

Molecular Properties

Compound Name4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol
PubChem CID158191256
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol
SMILESOc1ccc(-c2cc(OCC3CCCC3)c3nnn(C4CCCCO4)c3c2)cc1
InChIInChI=1S/C23H27N3O3/c27-19-10-8-17(9-11-19)18-13-20-23(21(14-18)29-15-16-5-1-2-6-16)24-25-26(20)22-7-3-4-12-28-22/h8-11,13-14,16,22,27H,1-7,12,15H2
InChIKeyIZYPTSMIOWRCOC-UHFFFAOYSA-N
XLogP5.07
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-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

3-[[6-bromo-1-(oxan-2-yl)benzotriazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 137463853
1-(oxan-2-yl)-4-[[(2S)-oxiran-2-yl]methoxy]benzotriazole
CID 88666159
3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid
CID 175009264
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol
CID 142521965
4-[3-(azetidin-3-ylmethoxy)-4-methanimidoyl-5-(oxan-2-ylamino)phenyl]phenol
CID 137474338
5-nitro-1-(oxan-2-yl)benzotriazole
CID 15147635
tert-butyl N-[3-[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxetan-2-yl]-N-methylcarbamate
CID 175416089
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
CID 175453155
6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
CID 162677646
3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile
CID 137471115
4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol
CID 172690145

Frequently Asked Questions

What is the IUPAC name of 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol?
The IUPAC name of 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol (CID 158191256) is 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol.
What is the SMILES notation for 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol?
The canonical SMILES for 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol is Oc1ccc(-c2cc(OCC3CCCC3)c3nnn(C4CCCCO4)c3c2)cc1.
What is the InChIKey of 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol?
The InChIKey is IZYPTSMIOWRCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-19-10-8-17(9-11-19)18-13-20-23(21(14-18)29-15-16-5-1-2-6-16)24-25-26(20)22-7-3-4-12-28-22/h8-11,13-14,16,22,27H,1-7,12,15H2.
What are the key properties of 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol?
4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol has a molecular weight of 393.49 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol is sourced from PubChem (CID 158191256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).