2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole

C19H17N3O2 — CID 168526577

IUPAC2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
SMILESCCOc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C19H17N3O2/c1-3-23-15-8-6-14(7-9-15)22-20-17-11-13(2)16(12-18(17)21-22)19-5-4-10-24-19/h4-12H,3H2,1-2H3
InChIKeyMJECVEZNCFUZNR-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole

2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole (PubChem CID 168526577) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
PubChem CID168526577
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
SMILESCCOc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C19H17N3O2/c1-3-23-15-8-6-14(7-9-15)22-20-17-11-13(2)16(12-18(17)21-22)19-5-4-10-24-19/h4-12H,3H2,1-2H3
InChIKeyMJECVEZNCFUZNR-UHFFFAOYSA-N
XLogP4.39
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9a-butyl-6-furan-2-yl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one
CID 9946229
4-Tert-butylphenyl 2,1,3-benzothiadiazole-5-carboxylate
CID 2874732
2-(2,1,3-Benzothiadiazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 2815748
Methyl 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole-5-carboxylate
CID 146659112
Benzotriazolylmethylfuran
CID 129781672
3-Benzotriazolyl-4-benzoyl-2-phenylfuran
CID 129859999
2-(4-Fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole
CID 168525214
2-(4-Fluorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526484
2-[3-(Furan-2-yl)-5-(2,2,2-trifluoroethoxy)phenyl]benzotriazole
CID 168526986
5-[2-(4-Fluorophenyl)-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
CID 169332553
5-[2-(4-Fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde
CID 169333830
5-[3-(Benzotriazol-2-yl)-5-(2,2,2-trifluoroethoxy)phenyl]furan-2-carbaldehyde
CID 169334340

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole (CID 168526577) is 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole is CCOc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The InChIKey is MJECVEZNCFUZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-3-23-15-8-6-14(7-9-15)22-20-17-11-13(2)16(12-18(17)21-22)19-5-4-10-24-19/h4-12H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole has a molecular weight of 319.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole is sourced from PubChem (CID 168526577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).