(3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone

C20H15N3O3 — CID 162373892

IUPAC(3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone
SMILESO=C(c1cccc(O)c1)n1nc2ccc(OCc3ccccc3)cc2n1
InChIInChI=1S/C20H15N3O3/c24-16-8-4-7-15(11-16)20(25)23-21-18-10-9-17(12-19(18)22-23)26-13-14-5-2-1-3-6-14/h1-12,24H,13H2
InChIKeyHDIKUNFTTXTTCI-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.40
Rot. Bonds4

About (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone

(3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone (PubChem CID 162373892) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone
PubChem CID162373892
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name(3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone
SMILESO=C(c1cccc(O)c1)n1nc2ccc(OCc3ccccc3)cc2n1
InChIInChI=1S/C20H15N3O3/c24-16-8-4-7-15(11-16)20(25)23-21-18-10-9-17(12-19(18)22-23)26-13-14-5-2-1-3-6-14/h1-12,24H,13H2
InChIKeyHDIKUNFTTXTTCI-UHFFFAOYSA-N
XLogP3.40
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-phenylmethoxyquinoline;quinolin-7-ol
CID 160975104
benzyl 3-hydroxybenzoate
CID 11736317
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733
(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462347
2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
CID 170357791
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid
CID 117098204
4-(2-methyl-4-oxo-6-phenylmethoxyquinazolin-3-yl)benzoic acid
CID 42581400
(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265
2-phenyl-5-phenylmethoxyphenol
CID 123808909
4-phenylmethoxybenzoic acid
CID 68896574

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone?
The IUPAC name of (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone (CID 162373892) is (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone.
What is the SMILES notation for (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone?
The canonical SMILES for (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone is O=C(c1cccc(O)c1)n1nc2ccc(OCc3ccccc3)cc2n1.
What is the InChIKey of (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone?
The InChIKey is HDIKUNFTTXTTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-16-8-4-7-15(11-16)20(25)23-21-18-10-9-17(12-19(18)22-23)26-13-14-5-2-1-3-6-14/h1-12,24H,13H2.
What are the key properties of (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone?
(3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone has a molecular weight of 345.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone is sourced from PubChem (CID 162373892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).