5-methanimidoyl-2-methoxyphenol

C8H9NO2 — CID 23221891

IUPAC5-methanimidoyl-2-methoxyphenol
SMILES[H]/N=C/c1ccc(OC)c(O)c1
InChIInChI=1S/C8H9NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,9-10H,1H3/b9-5+
InChIKeyDXYFMETWTIRIHD-WEVVVXLNSA-N
MW151.16 g/mol
LogP1.40
Rot. Bonds2

About 5-methanimidoyl-2-methoxyphenol

5-methanimidoyl-2-methoxyphenol (PubChem CID 23221891) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 5-methanimidoyl-2-methoxyphenol.

Molecular Properties

Compound Name5-methanimidoyl-2-methoxyphenol
PubChem CID23221891
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name5-methanimidoyl-2-methoxyphenol
SMILES[H]/N=C/c1ccc(OC)c(O)c1
InChIInChI=1S/C8H9NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,9-10H,1H3/b9-5+
InChIKeyDXYFMETWTIRIHD-WEVVVXLNSA-N
XLogP1.40
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxybenzaldehyde
CID 87256894
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 10727141
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
(2E,3Z)-2,3-bis[(3-hydroxy-4-methoxyphenyl)methylidene]butanedial
CID 177405847
5-but-1-enyl-2-methoxyphenol
CID 154188368
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
2-methoxy-5-(2-pyridin-4-ylethenyl)phenol
CID 54474523
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216
5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol
CID 142965156
sodium (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 66849635

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-2-methoxyphenol?
The IUPAC name of 5-methanimidoyl-2-methoxyphenol (CID 23221891) is 5-methanimidoyl-2-methoxyphenol.
What is the SMILES notation for 5-methanimidoyl-2-methoxyphenol?
The canonical SMILES for 5-methanimidoyl-2-methoxyphenol is [H]/N=C/c1ccc(OC)c(O)c1.
What is the InChIKey of 5-methanimidoyl-2-methoxyphenol?
The InChIKey is DXYFMETWTIRIHD-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,9-10H,1H3/b9-5+.
What are the key properties of 5-methanimidoyl-2-methoxyphenol?
5-methanimidoyl-2-methoxyphenol has a molecular weight of 151.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-2-methoxyphenol is sourced from PubChem (CID 23221891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).