(2-hydroxyphenyl)methylideneiron

C7H6FeO — CID 87449748

IUPAC(2-hydroxyphenyl)methylideneiron
SMILESOc1ccccc1C=[Fe]
InChIInChI=1S/C7H6O.Fe/c1-6-4-2-3-5-7(6)8;/h1-5,8H;
InChIKeyLWZZDNYVYCLRDL-UHFFFAOYSA-N
MW161.97 g/mol
LogP1.09
Rot. Bonds1

About (2-hydroxyphenyl)methylideneiron

(2-hydroxyphenyl)methylideneiron (PubChem CID 87449748) has the molecular formula C7H6FeO and a molecular weight of 161.97 g/mol. Its IUPAC name is (2-hydroxyphenyl)methylideneiron.

Molecular Properties

Compound Name(2-hydroxyphenyl)methylideneiron
PubChem CID87449748
Molecular FormulaC7H6FeO
Molecular Weight161.97 g/mol
Exact Mass161.98
IUPAC Name(2-hydroxyphenyl)methylideneiron
SMILESOc1ccccc1C=[Fe]
InChIInChI=1S/C7H6O.Fe/c1-6-4-2-3-5-7(6)8;/h1-5,8H;
InChIKeyLWZZDNYVYCLRDL-UHFFFAOYSA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.97
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethenylphenol
CID 161061609
(2-hydroxyphenyl)methylideneruthenium(1+)
CID 145329555
CID 158421076
CID 158421076
CID 162316519
CID 162316519
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
deuterio-(2-hydroxyphenyl)methanone
CID 91063368
2-hydroxybenzaldehyde;methanamine
CID 174602056
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
zinc 2-(methyliminomethyl)phenol
CID 135422153
CID 67789680
CID 67789680

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methylideneiron?
The IUPAC name of (2-hydroxyphenyl)methylideneiron (CID 87449748) is (2-hydroxyphenyl)methylideneiron.
What is the SMILES notation for (2-hydroxyphenyl)methylideneiron?
The canonical SMILES for (2-hydroxyphenyl)methylideneiron is Oc1ccccc1C=[Fe].
What is the InChIKey of (2-hydroxyphenyl)methylideneiron?
The InChIKey is LWZZDNYVYCLRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.Fe/c1-6-4-2-3-5-7(6)8;/h1-5,8H;.
What are the key properties of (2-hydroxyphenyl)methylideneiron?
(2-hydroxyphenyl)methylideneiron has a molecular weight of 161.97 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methylideneiron is sourced from PubChem (CID 87449748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).