3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol

C20H16N2O2 — CID 2127680

IUPAC3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cccc(C=NN=C(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C20H16N2O2/c23-18-13-7-12-17(20(18)24)14-21-22-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,23-24H
InChIKeyBTLABYYBLMFYAT-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.97
Rot. Bonds4

About 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol

3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 2127680) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
PubChem CID2127680
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cccc(C=NN=C(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C20H16N2O2/c23-18-13-7-12-17(20(18)24)14-21-22-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,23-24H
InChIKeyBTLABYYBLMFYAT-UHFFFAOYSA-N
XLogP3.97
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783
1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine
CID 2460827
1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
CID 172918115
N-[(4-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 4618251
bis((NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate);nickel(2+)
CID 135409864
2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol
CID 135751843
(E)-N-[(E)-(3-bromothiophen-2-yl)methylideneamino]-1,1-diphenylmethanimine
CID 89330312
4-[(benzhydrylidenehydrazinylidene)methyl]benzoic acid
CID 2495897
N-[(2-chloro-6-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 2259065
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679
N-[(10-chloroanthracen-9-yl)methylideneamino]-1,1-diphenylmethanimine
CID 4646176
3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
CID 1105722

Frequently Asked Questions

What is the IUPAC name of 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol (CID 2127680) is 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol is Oc1cccc(C=NN=C(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is BTLABYYBLMFYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-18-13-7-12-17(20(18)24)14-21-22-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,23-24H.
What are the key properties of 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol?
3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol has a molecular weight of 316.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 2127680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).