CID 56851103

C19H20FeO+2 — CID 56851103

IUPAC—
SMILESCCOC([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H15O.C5H5.Fe/c1-2-15-14(13-10-6-7-11-13)12-8-4-3-5-9-12;1-2-4-5-3-1;/h3-11,14H,2H2,1H3;1-5H;/q;;+2
InChIKeyCLMDJUYYQGVXQK-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.19
Rot. Bonds4

About CID 56851103

CID 56851103 (PubChem CID 56851103) has the molecular formula C19H20FeO+2 and a molecular weight of 320.21 g/mol.

Molecular Properties

Compound NameCID 56851103
PubChem CID56851103
Molecular FormulaC19H20FeO+2
Molecular Weight320.21 g/mol
Exact Mass320.09
IUPAC Name—
SMILESCCOC([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H15O.C5H5.Fe/c1-2-15-14(13-10-6-7-11-13)12-8-4-3-5-9-12;1-2-4-5-3-1;/h3-11,14H,2H2,1H3;1-5H;/q;;+2
InChIKeyCLMDJUYYQGVXQK-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 56851104
CID 56851104
4-[ethoxy(phenyl)methyl]benzoic acid
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2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
CID 121010363
bis[2-[ethoxy(phenyl)methyl]phenyl]methanone
CID 153325747
CID 73056626
CID 73056626
2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
CID 119089815
azane;2-benzhydryloxyacetic acid;propane
CID 173385608
[ethoxy(phenyl)methoxy]-triethylsilane
CID 139842953
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463

Frequently Asked Questions

What is the IUPAC name of CID 56851103?
The IUPAC name of CID 56851103 (CID 56851103) is not available.
What is the SMILES notation for CID 56851103?
The canonical SMILES for CID 56851103 is CCOC([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 56851103?
The InChIKey is CLMDJUYYQGVXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O.C5H5.Fe/c1-2-15-14(13-10-6-7-11-13)12-8-4-3-5-9-12;1-2-4-5-3-1;/h3-11,14H,2H2,1H3;1-5H;/q;;+2.
What are the key properties of CID 56851103?
CID 56851103 has a molecular weight of 320.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 56851103 is sourced from PubChem (CID 56851103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).