2H-benzotriazole;3-phenylphthalic acid

C20H15N3O4 — CID 175494316

IUPAC2H-benzotriazole;3-phenylphthalic acid
SMILESO=C(O)c1cccc(-c2ccccc2)c1C(=O)O.c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H10O4.C6H5N3/c15-13(16)11-8-4-7-10(12(11)14(17)18)9-5-2-1-3-6-9;1-2-4-6-5(3-1)7-9-8-6/h1-8H,(H,15,16)(H,17,18);1-4H,(H,7,8,9)
InChIKeyRYLNZWMCVAAMFV-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.71
Rot. Bonds3

About 2H-benzotriazole;3-phenylphthalic acid

2H-benzotriazole;3-phenylphthalic acid (PubChem CID 175494316) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2H-benzotriazole;3-phenylphthalic acid.

Molecular Properties

Compound Name2H-benzotriazole;3-phenylphthalic acid
PubChem CID175494316
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2H-benzotriazole;3-phenylphthalic acid
SMILESO=C(O)c1cccc(-c2ccccc2)c1C(=O)O.c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H10O4.C6H5N3/c15-13(16)11-8-4-7-10(12(11)14(17)18)9-5-2-1-3-6-9;1-2-4-6-5(3-1)7-9-8-6/h1-8H,(H,15,16)(H,17,18);1-4H,(H,7,8,9)
InChIKeyRYLNZWMCVAAMFV-UHFFFAOYSA-N
XLogP3.71
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
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3-phenyl-2-sulfanylcarbonylbenzoic acid
CID 88677221
hexan-1-ol;3-phenylphthalic acid
CID 175451457
3-(4-aminophenyl)phthalic acid
CID 150193527
2-benzoyl-6-phenylbenzoic acid
CID 174388121
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924
acetylene;2-phenylbenzoic acid
CID 67726329
2H-benzotriazole;1,1'-biphenyl
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azane;2H-benzotriazole-4-carboxylic acid;silver
CID 173422374

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;3-phenylphthalic acid?
The IUPAC name of 2H-benzotriazole;3-phenylphthalic acid (CID 175494316) is 2H-benzotriazole;3-phenylphthalic acid.
What is the SMILES notation for 2H-benzotriazole;3-phenylphthalic acid?
The canonical SMILES for 2H-benzotriazole;3-phenylphthalic acid is O=C(O)c1cccc(-c2ccccc2)c1C(=O)O.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;3-phenylphthalic acid?
The InChIKey is RYLNZWMCVAAMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.C6H5N3/c15-13(16)11-8-4-7-10(12(11)14(17)18)9-5-2-1-3-6-9;1-2-4-6-5(3-1)7-9-8-6/h1-8H,(H,15,16)(H,17,18);1-4H,(H,7,8,9).
What are the key properties of 2H-benzotriazole;3-phenylphthalic acid?
2H-benzotriazole;3-phenylphthalic acid has a molecular weight of 361.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;3-phenylphthalic acid is sourced from PubChem (CID 175494316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).