benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone

C20H15N3O2 — CID 155303268

IUPACbenzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C20H15N3O2/c24-20(23-18-12-6-5-11-17(18)21-22-23)16-10-4-7-13-19(16)25-14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyFCRPKFDHUXHQBZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.70
Rot. Bonds4

About benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone

benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone (PubChem CID 155303268) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone
PubChem CID155303268
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Namebenzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccccc1OCc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C20H15N3O2/c24-20(23-18-12-6-5-11-17(18)21-22-23)16-10-4-7-13-19(16)25-14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyFCRPKFDHUXHQBZ-UHFFFAOYSA-N
XLogP3.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
CID 743712
(2-Benzyloxyphenyl)(3-(3-piperidinopropoxy)indazol-1-yl)ketone
CID 145722355
1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole
CID 898637
4-(4-Acetylphenoxy)-1-(benzotriazol-1-yl)butan-1-one
CID 2087132
3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)-1-(4-methoxy-phenyl)-propenone
CID 5766646
(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
(2-Phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone
CID 155546316
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
(2-Ethoxy-phenyl)-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 648039
(2-Ethoxy-phenyl)-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 1469601

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone (CID 155303268) is benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone is O=C(c1ccccc1OCc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone?
The InChIKey is FCRPKFDHUXHQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(23-18-12-6-5-11-17(18)21-22-23)16-10-4-7-13-19(16)25-14-15-8-2-1-3-9-15/h1-13H,14H2.
What are the key properties of benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone?
benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone has a molecular weight of 329.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(2-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 155303268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).