4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol

C12H11NO3 — CID 173106037

IUPAC4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol
SMILESC=Nc1cc(-c2ccco2)cc(OC)c1O
InChIInChI=1S/C12H11NO3/c1-13-9-6-8(10-4-3-5-16-10)7-11(15-2)12(9)14/h3-7,14H,1H2,2H3
InChIKeyBATJIABQHAKHAB-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.99
Rot. Bonds3

About 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol

4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol (PubChem CID 173106037) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol
PubChem CID173106037
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol
SMILESC=Nc1cc(-c2ccco2)cc(OC)c1O
InChIInChI=1S/C12H11NO3/c1-13-9-6-8(10-4-3-5-16-10)7-11(15-2)12(9)14/h3-7,14H,1H2,2H3
InChIKeyBATJIABQHAKHAB-UHFFFAOYSA-N
XLogP2.99
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-(furan-2-yl)-2,6-dimethoxyphenyl]methanamine
CID 150177853
4-(furan-2-yl)-2-methoxybenzoic acid
CID 53224787
[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
CID 58431996
1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone
CID 168527546
2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
CID 168525465
6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135581614
2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide
CID 168526436
N-[4-(furan-2-yl)-2-methoxyphenyl]-2-methoxyacetamide
CID 168524887
3-(furan-2-yl)-5-methoxypyridine
CID 174589333
4-[4-(furan-2-yl)-2-methoxyphenyl]morpholine
CID 168525030
5-(furan-2-yl)-2-methoxypyridine
CID 58016660
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol?
The IUPAC name of 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol (CID 173106037) is 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol.
What is the SMILES notation for 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol?
The canonical SMILES for 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol is C=Nc1cc(-c2ccco2)cc(OC)c1O.
What is the InChIKey of 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol?
The InChIKey is BATJIABQHAKHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-13-9-6-8(10-4-3-5-16-10)7-11(15-2)12(9)14/h3-7,14H,1H2,2H3.
What are the key properties of 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol?
4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol has a molecular weight of 217.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methoxy-6-(methylideneamino)phenol is sourced from PubChem (CID 173106037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).