2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine

C14H13Cl2N3O — CID 68718360

IUPAC2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine
SMILESCOc1ccc(/C=C/c2nc(CCl)nc(CCl)n2)cc1
InChIInChI=1S/C14H13Cl2N3O/c1-20-11-5-2-10(3-6-11)4-7-12-17-13(8-15)19-14(9-16)18-12/h2-7H,8-9H2,1H3/b7-4+
InChIKeyVOBCXTMFMPYERE-QPJJXVBHSA-N
MW310.18 g/mol
LogP3.53
Rot. Bonds5

About 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine

2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine (PubChem CID 68718360) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine
PubChem CID68718360
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine
SMILESCOc1ccc(/C=C/c2nc(CCl)nc(CCl)n2)cc1
InChIInChI=1S/C14H13Cl2N3O/c1-20-11-5-2-10(3-6-11)4-7-12-17-13(8-15)19-14(9-16)18-12/h2-7H,8-9H2,1H3/b7-4+
InChIKeyVOBCXTMFMPYERE-QPJJXVBHSA-N
XLogP3.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 92855713
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
CID 87977007
CID 87977007
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
1-methoxy-4-prop-1-enylbenzene
CID 67322568
2-[2-(4-methoxyphenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 76514163

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine (CID 68718360) is 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine is COc1ccc(/C=C/c2nc(CCl)nc(CCl)n2)cc1.
What is the InChIKey of 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine?
The InChIKey is VOBCXTMFMPYERE-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-20-11-5-2-10(3-6-11)4-7-12-17-13(8-15)19-14(9-16)18-12/h2-7H,8-9H2,1H3/b7-4+.
What are the key properties of 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine?
2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine has a molecular weight of 310.18 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine is sourced from PubChem (CID 68718360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).