2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol

C19H22N2O2 — CID 135730678

IUPAC2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
SMILESCOc1ccccc1/C=N/CCCC/N=C/c1ccccc1O
InChIInChI=1S/C19H22N2O2/c1-23-19-11-5-3-9-17(19)15-21-13-7-6-12-20-14-16-8-2-4-10-18(16)22/h2-5,8-11,14-15,22H,6-7,12-13H2,1H3/b20-14+,21-15+
InChIKeyUMVKEANNMIJQCF-OZNQKUEASA-N
MW310.40 g/mol
LogP3.72
Rot. Bonds8

About 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol

2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol (PubChem CID 135730678) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol.

Molecular Properties

Compound Name2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
PubChem CID135730678
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
SMILESCOc1ccccc1/C=N/CCCC/N=C/c1ccccc1O
InChIInChI=1S/C19H22N2O2/c1-23-19-11-5-3-9-17(19)15-21-13-7-6-12-20-14-16-8-2-4-10-18(16)22/h2-5,8-11,14-15,22H,6-7,12-13H2,1H3/b20-14+,21-15+
InChIKeyUMVKEANNMIJQCF-OZNQKUEASA-N
XLogP3.72
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
2-(3-methylselanylpropyliminomethyl)phenol
CID 136817271
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol?
The IUPAC name of 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol (CID 135730678) is 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol.
What is the SMILES notation for 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol?
The canonical SMILES for 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol is COc1ccccc1/C=N/CCCC/N=C/c1ccccc1O.
What is the InChIKey of 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol?
The InChIKey is UMVKEANNMIJQCF-OZNQKUEASA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-19-11-5-3-9-17(19)15-21-13-7-6-12-20-14-16-8-2-4-10-18(16)22/h2-5,8-11,14-15,22H,6-7,12-13H2,1H3/b20-14+,21-15+.
What are the key properties of 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol?
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol has a molecular weight of 310.40 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol is sourced from PubChem (CID 135730678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).