4-(C-methyl-N-phenylcarbonimidoyl)phenol

C14H13NO — CID 135442227

IUPAC4-(C-methyl-N-phenylcarbonimidoyl)phenol
SMILESC/C(=N\c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H13NO/c1-11(12-7-9-14(16)10-8-12)15-13-5-3-2-4-6-13/h2-10,16H,1H3/b15-11+
InChIKeyWBWSHUGIVVRLAQ-RVDMUPIBSA-N
MW211.26 g/mol
LogP3.53
Rot. Bonds2

About 4-(C-methyl-N-phenylcarbonimidoyl)phenol

4-(C-methyl-N-phenylcarbonimidoyl)phenol (PubChem CID 135442227) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(C-methyl-N-phenylcarbonimidoyl)phenol.

Molecular Properties

Compound Name4-(C-methyl-N-phenylcarbonimidoyl)phenol
PubChem CID135442227
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4-(C-methyl-N-phenylcarbonimidoyl)phenol
SMILESC/C(=N\c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H13NO/c1-11(12-7-9-14(16)10-8-12)15-13-5-3-2-4-6-13/h2-10,16H,1H3/b15-11+
InChIKeyWBWSHUGIVVRLAQ-RVDMUPIBSA-N
XLogP3.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol
CID 137317837
4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 135490404
2-(1-phenylethylideneamino)phenol
CID 12750817
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
CID 54579209
CID 54579209
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
CID 13451380
1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine
CID 90442429
cobalt(3+);1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;trichloride
CID 173244755
1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
CID 173244518

Frequently Asked Questions

What is the IUPAC name of 4-(C-methyl-N-phenylcarbonimidoyl)phenol?
The IUPAC name of 4-(C-methyl-N-phenylcarbonimidoyl)phenol (CID 135442227) is 4-(C-methyl-N-phenylcarbonimidoyl)phenol.
What is the SMILES notation for 4-(C-methyl-N-phenylcarbonimidoyl)phenol?
The canonical SMILES for 4-(C-methyl-N-phenylcarbonimidoyl)phenol is C/C(=N\c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-(C-methyl-N-phenylcarbonimidoyl)phenol?
The InChIKey is WBWSHUGIVVRLAQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H13NO/c1-11(12-7-9-14(16)10-8-12)15-13-5-3-2-4-6-13/h2-10,16H,1H3/b15-11+.
What are the key properties of 4-(C-methyl-N-phenylcarbonimidoyl)phenol?
4-(C-methyl-N-phenylcarbonimidoyl)phenol has a molecular weight of 211.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C-methyl-N-phenylcarbonimidoyl)phenol is sourced from PubChem (CID 135442227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).