3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

C17H18N2O2 — CID 91295364

IUPAC3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESOc1cccc(/C=N/CCC/N=C/c2cccc(O)c2)c1
InChIInChI=1S/C17H18N2O2/c20-16-6-1-4-14(10-16)12-18-8-3-9-19-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-13,20-21H,3,8-9H2/b18-12+,19-13+
InChIKeyDFNKWHHMXCFTLH-KLCVKJMQSA-N
MW282.34 g/mol
LogP3.03
Rot. Bonds6

About 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (PubChem CID 91295364) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.

Molecular Properties

Compound Name3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
PubChem CID91295364
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESOc1cccc(/C=N/CCC/N=C/c2cccc(O)c2)c1
InChIInChI=1S/C17H18N2O2/c20-16-6-1-4-14(10-16)12-18-8-3-9-19-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-13,20-21H,3,8-9H2/b18-12+,19-13+
InChIKeyDFNKWHHMXCFTLH-KLCVKJMQSA-N
XLogP3.03
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
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

N-butyl-1-(3-ethoxyphenyl)methanimine
CID 584358
2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid
CID 110507165
1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine
CID 3771816
1-(3-ethenylphenyl)-N-hexylmethanimine
CID 66742788
1-(3-fluorophenyl)-N-[2-[2-[2-[(3-fluorophenyl)methylideneamino]ethoxy]ethoxy]ethyl]methanimine
CID 3748157
3-(3-methanehydrazonoylphenyl)phenol
CID 168529657
4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol
CID 139211832
[3-[2-[2-[(3-boronophenyl)methylideneamino]ethyldisulfanyl]ethyliminomethyl]phenyl]boronic acid
CID 89391396
1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine
CID 91318169
3-[(E)-hex-1-enyl]phenol
CID 121007177
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 1417226

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The IUPAC name of 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (CID 91295364) is 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.
What is the SMILES notation for 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The canonical SMILES for 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is Oc1cccc(/C=N/CCC/N=C/c2cccc(O)c2)c1.
What is the InChIKey of 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The InChIKey is DFNKWHHMXCFTLH-KLCVKJMQSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16-6-1-4-14(10-16)12-18-8-3-9-19-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-13,20-21H,3,8-9H2/b18-12+,19-13+.
What are the key properties of 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol has a molecular weight of 282.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is sourced from PubChem (CID 91295364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).