trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide

C14H15BNO4- — CID 177433206

IUPACtrihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide
SMILESO[B-](O)(O)c1ccccc1/C=N/OCc1ccccc1
InChIInChI=1S/C14H15BNO4/c17-15(18,19)14-9-5-4-8-13(14)10-16-20-11-12-6-2-1-3-7-12/h1-10,17-19H,11H2/q-1/b16-10+
InChIKeyBUBJQKHFQKDRTK-MHWRWJLKSA-N
MW272.09 g/mol
LogP0.36
Rot. Bonds5

About trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide

trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide (PubChem CID 177433206) has the molecular formula C14H15BNO4- and a molecular weight of 272.09 g/mol. Its IUPAC name is trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide.

Molecular Properties

Compound Nametrihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide
PubChem CID177433206
Molecular FormulaC14H15BNO4-
Molecular Weight272.09 g/mol
Exact Mass272.11
IUPAC Nametrihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide
SMILESO[B-](O)(O)c1ccccc1/C=N/OCc1ccccc1
InChIInChI=1S/C14H15BNO4/c17-15(18,19)14-9-5-4-8-13(14)10-16-20-11-12-6-2-1-3-7-12/h1-10,17-19H,11H2/q-1/b16-10+
InChIKeyBUBJQKHFQKDRTK-MHWRWJLKSA-N
XLogP0.36
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-phenylmethoxyiminomethyl]benzoic acid
CID 46567047
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine
CID 76777789
(E)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 88567097
2,5-dimethyl-4-(phenylmethoxyiminomethyl)aniline
CID 86638529
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 57207956
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide?
The IUPAC name of trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide (CID 177433206) is trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide.
What is the SMILES notation for trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide?
The canonical SMILES for trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide is O[B-](O)(O)c1ccccc1/C=N/OCc1ccccc1.
What is the InChIKey of trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide?
The InChIKey is BUBJQKHFQKDRTK-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H15BNO4/c17-15(18,19)14-9-5-4-8-13(14)10-16-20-11-12-6-2-1-3-7-12/h1-10,17-19H,11H2/q-1/b16-10+.
What are the key properties of trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide?
trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide has a molecular weight of 272.09 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[2-[(E)-phenylmethoxyiminomethyl]phenyl]boranuide is sourced from PubChem (CID 177433206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).