(Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol

C25H25NO — CID 143458350

IUPAC(Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol
SMILESC/C(O)=C(\c1ccccc1)c1ccc(/C(C)=N/c2cccc(C)c2C)cc1
InChIInChI=1S/C25H25NO/c1-17-9-8-12-24(18(17)2)26-19(3)21-13-15-23(16-14-21)25(20(4)27)22-10-6-5-7-11-22/h5-16,27H,1-4H3/b25-20-,26-19+
InChIKeyFAAHOIXTRGMGRG-LLVLDVBMSA-N
MW355.48 g/mol
LogP6.78
Rot. Bonds4

About (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol

(Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol (PubChem CID 143458350) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol
PubChem CID143458350
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol
SMILESC/C(O)=C(\c1ccccc1)c1ccc(/C(C)=N/c2cccc(C)c2C)cc1
InChIInChI=1S/C25H25NO/c1-17-9-8-12-24(18(17)2)26-19(3)21-13-15-23(16-14-21)25(20(4)27)22-10-6-5-7-11-22/h5-16,27H,1-4H3/b25-20-,26-19+
InChIKeyFAAHOIXTRGMGRG-LLVLDVBMSA-N
XLogP6.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-phenylethylideneamino)phenol
CID 12750817
4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]benzenesulfinic acid
CID 166990725
N-(9H-fluoren-1-yl)-1-phenylethanimine
CID 143688268
butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine
CID 143802806
N'-(2,3-dimethylphenyl)carbamimidoyl fluoride
CID 163630481
N-(2-isocyanophenyl)-1-phenylethanimine
CID 11304476
N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine
CID 11232256
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
CID 101171806
4-(C-methyl-N-phenylcarbonimidoyl)phenol
CID 135442227
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 177189173

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol?
The IUPAC name of (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol (CID 143458350) is (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol.
What is the SMILES notation for (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol?
The canonical SMILES for (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol is C/C(O)=C(\c1ccccc1)c1ccc(/C(C)=N/c2cccc(C)c2C)cc1.
What is the InChIKey of (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol?
The InChIKey is FAAHOIXTRGMGRG-LLVLDVBMSA-N. The full InChI is InChI=1S/C25H25NO/c1-17-9-8-12-24(18(17)2)26-19(3)21-13-15-23(16-14-21)25(20(4)27)22-10-6-5-7-11-22/h5-16,27H,1-4H3/b25-20-,26-19+.
What are the key properties of (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol?
(Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol has a molecular weight of 355.48 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[N-(2,3-dimethylphenyl)-C-methylcarbonimidoyl]phenyl]-1-phenylprop-1-en-2-ol is sourced from PubChem (CID 143458350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).