2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol

C14H22N4O2 — CID 135436333

IUPAC2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol
SMILESCCOc1cc(/C=N\N(C)C)cc(/C=N\N(C)C)c1O
InChIInChI=1S/C14H22N4O2/c1-6-20-13-8-11(9-15-17(2)3)7-12(14(13)19)10-16-18(4)5/h7-10,19H,6H2,1-5H3/b15-9-,16-10-
InChIKeyMSFGDZDRGSLLKR-VULZFCBJSA-N
MW278.36 g/mol
LogP1.58
Rot. Bonds6

About 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol

2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol (PubChem CID 135436333) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol
PubChem CID135436333
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol
SMILESCCOc1cc(/C=N\N(C)C)cc(/C=N\N(C)C)c1O
InChIInChI=1S/C14H22N4O2/c1-6-20-13-8-11(9-15-17(2)3)7-12(14(13)19)10-16-18(4)5/h7-10,19H,6H2,1-5H3/b15-9-,16-10-
InChIKeyMSFGDZDRGSLLKR-VULZFCBJSA-N
XLogP1.58
TPSA60.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507423
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507418
N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110339972
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
CID 4155437
2-[carboxymethyl-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]amino]acetic acid
CID 136786717
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371
2-chloro-6-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
CID 135457674
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136928188
3-[2-[(5-formyl-2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-5-methoxybenzaldehyde
CID 136617808
methyl N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 135852617

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol?
The IUPAC name of 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol (CID 135436333) is 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol?
The canonical SMILES for 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol is CCOc1cc(/C=N\N(C)C)cc(/C=N\N(C)C)c1O.
What is the InChIKey of 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol?
The InChIKey is MSFGDZDRGSLLKR-VULZFCBJSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-6-20-13-8-11(9-15-17(2)3)7-12(14(13)19)10-16-18(4)5/h7-10,19H,6H2,1-5H3/b15-9-,16-10-.
What are the key properties of 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol?
2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol has a molecular weight of 278.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol is sourced from PubChem (CID 135436333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).