3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol

C18H20N2O3 — CID 10870679

IUPAC3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol
SMILESCOc1ccc(/C=N/N=C/c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-22-17-7-3-15(4-8-17)13-19-20-14-16-5-9-18(10-6-16)23-12-2-11-21/h3-10,13-14,21H,2,11-12H2,1H3/b19-13+,20-14+
InChIKeyQVUDOCUSYVVHCJ-IWGRKNQJSA-N
MW312.37 g/mol
LogP2.91
Rot. Bonds8

About 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol

3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol (PubChem CID 10870679) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol
PubChem CID10870679
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol
SMILESCOc1ccc(/C=N/N=C/c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-22-17-7-3-15(4-8-17)13-19-20-14-16-5-9-18(10-6-16)23-12-2-11-21/h3-10,13-14,21H,2,11-12H2,1H3/b19-13+,20-14+
InChIKeyQVUDOCUSYVVHCJ-IWGRKNQJSA-N
XLogP2.91
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
CID 101153259
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 3949149
N-[(4-methoxyphenyl)methylideneamino]-1-(4-prop-2-enylphenyl)methanimine
CID 54465845
4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979858
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol (CID 10870679) is 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol is COc1ccc(/C=N/N=C/c2ccc(OCCCO)cc2)cc1.
What is the InChIKey of 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol?
The InChIKey is QVUDOCUSYVVHCJ-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17-7-3-15(4-8-17)13-19-20-14-16-5-9-18(10-6-16)23-12-2-11-21/h3-10,13-14,21H,2,11-12H2,1H3/b19-13+,20-14+.
What are the key properties of 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol?
3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol has a molecular weight of 312.37 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol is sourced from PubChem (CID 10870679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).