2-phenylethylidynerhenium

C8H7Re — CID 15769334

IUPAC2-phenylethylidynerhenium
SMILES[Re]#CCc1ccccc1
InChIInChI=1S/C8H7.Re/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2;
InChIKeyKITOLMNVOFNWQW-UHFFFAOYSA-N
MW289.35 g/mol
LogP1.74
Rot. Bonds1

About 2-phenylethylidynerhenium

2-phenylethylidynerhenium (PubChem CID 15769334) has the molecular formula C8H7Re and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-phenylethylidynerhenium.

Molecular Properties

Compound Name2-phenylethylidynerhenium
PubChem CID15769334
Molecular FormulaC8H7Re
Molecular Weight289.35 g/mol
Exact Mass290.01
IUPAC Name2-phenylethylidynerhenium
SMILES[Re]#CCc1ccccc1
InChIInChI=1S/C8H7.Re/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2;
InChIKeyKITOLMNVOFNWQW-UHFFFAOYSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 177494540
CID 177494540
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phenyl(113C)methylbenzene
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benzene;2-phenylethylbenzene
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ethanol;2-phenylacetonitrile
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benzyl(cyano)cyanamide
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CID 67811992
pentane;2-phenylacetonitrile
CID 175401788
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CID 53432367

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylidynerhenium?
The IUPAC name of 2-phenylethylidynerhenium (CID 15769334) is 2-phenylethylidynerhenium.
What is the SMILES notation for 2-phenylethylidynerhenium?
The canonical SMILES for 2-phenylethylidynerhenium is [Re]#CCc1ccccc1.
What is the InChIKey of 2-phenylethylidynerhenium?
The InChIKey is KITOLMNVOFNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7.Re/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2;.
What are the key properties of 2-phenylethylidynerhenium?
2-phenylethylidynerhenium has a molecular weight of 289.35 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylidynerhenium is sourced from PubChem (CID 15769334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).