4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C18H15ClN4O — CID 135437661

IUPAC4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2cc(Cl)ccc2O)n1
InChIInChI=1S/C18H15ClN4O/c1-12-9-16(13-5-3-2-4-6-13)22-18(21-12)23-20-11-14-10-15(19)7-8-17(14)24/h2-11,24H,1H3,(H,21,22,23)/b20-11+
InChIKeyZMXUDXBPYHFUPN-RGVLZGJSSA-N
MW338.80 g/mol
LogP4.26
Rot. Bonds4

About 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135437661) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135437661
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2cc(Cl)ccc2O)n1
InChIInChI=1S/C18H15ClN4O/c1-12-9-16(13-5-3-2-4-6-13)22-18(21-12)23-20-11-14-10-15(19)7-8-17(14)24/h2-11,24H,1H3,(H,21,22,23)/b20-11+
InChIKeyZMXUDXBPYHFUPN-RGVLZGJSSA-N
XLogP4.26
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135437661) is 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Cc1cc(-c2ccccc2)nc(N/N=C/c2cc(Cl)ccc2O)n1.
What is the InChIKey of 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is ZMXUDXBPYHFUPN-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-12-9-16(13-5-3-2-4-6-13)22-18(21-12)23-20-11-14-10-15(19)7-8-17(14)24/h2-11,24H,1H3,(H,21,22,23)/b20-11+.
What are the key properties of 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 338.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135437661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).