(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine

C29H27NO3 — CID 6905782

IUPAC(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine
SMILESCc1ccc(CO/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C29H27NO3/c1-23-12-14-26(15-13-23)22-33-30-19-27-16-17-28(31-20-24-8-4-2-5-9-24)29(18-27)32-21-25-10-6-3-7-11-25/h2-19H,20-22H2,1H3/b30-19+
InChIKeyHAOLRIXYPRMWKB-NDZAJKAJSA-N
MW437.54 g/mol
LogP6.70
Rot. Bonds10

About (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine

(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine (PubChem CID 6905782) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine
PubChem CID6905782
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC Name(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine
SMILESCc1ccc(CO/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C29H27NO3/c1-23-12-14-26(15-13-23)22-33-30-19-27-16-17-28(31-20-24-8-4-2-5-9-24)29(18-27)32-21-25-10-6-3-7-11-25/h2-19H,20-22H2,1H3/b30-19+
InChIKeyHAOLRIXYPRMWKB-NDZAJKAJSA-N
XLogP6.70
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 6906138
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2457929
(Z)-N-[(2-fluorophenyl)methoxy]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 7669404
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 3894304
2-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221
2-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 3881838
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
CID 4117636
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine (CID 6905782) is (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine is Cc1ccc(CO/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine?
The InChIKey is HAOLRIXYPRMWKB-NDZAJKAJSA-N. The full InChI is InChI=1S/C29H27NO3/c1-23-12-14-26(15-13-23)22-33-30-19-27-16-17-28(31-20-24-8-4-2-5-9-24)29(18-27)32-21-25-10-6-3-7-11-25/h2-19H,20-22H2,1H3/b30-19+.
What are the key properties of (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine?
(E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine has a molecular weight of 437.54 g/mol, XLogP of 6.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3,4-bis(phenylmethoxy)phenyl]-N-[(4-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 6905782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).