4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol

C20H16BrNO2 — CID 3419984

IUPAC4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol
SMILESOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C20H16BrNO2/c21-17-5-1-16(2-6-17)14-24-20-11-3-15(4-12-20)13-22-18-7-9-19(23)10-8-18/h1-13,23H,14H2/b22-13+
InChIKeyGXTRTDLTXSZXNP-LPYMAVHISA-N
MW382.26 g/mol
LogP5.48
Rot. Bonds5

About 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol

4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol (PubChem CID 3419984) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol
PubChem CID3419984
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Name4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol
SMILESOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C20H16BrNO2/c21-17-5-1-16(2-6-17)14-24-20-11-3-15(4-12-20)13-22-18-7-9-19(23)10-8-18/h1-13,23H,14H2/b22-13+
InChIKeyGXTRTDLTXSZXNP-LPYMAVHISA-N
XLogP5.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126217743
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136845072
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 3085874
1-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126218213
methyl 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]acetate
CID 3677124
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
(E)-1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 110339660
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine
CID 126191637
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol?
The IUPAC name of 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol (CID 3419984) is 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol.
What is the SMILES notation for 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol?
The canonical SMILES for 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol is Oc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol?
The InChIKey is GXTRTDLTXSZXNP-LPYMAVHISA-N. The full InChI is InChI=1S/C20H16BrNO2/c21-17-5-1-16(2-6-17)14-24-20-11-3-15(4-12-20)13-22-18-7-9-19(23)10-8-18/h1-13,23H,14H2/b22-13+.
What are the key properties of 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol?
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol has a molecular weight of 382.26 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]phenol is sourced from PubChem (CID 3419984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).