ethane;molecular hydrogen;1-phenylethanone

C10H16O — CID 143067772

IUPACethane;molecular hydrogen;1-phenylethanone
SMILESCC.CC(=O)c1ccccc1.[H][H]
InChIInChI=1S/C8H8O.C2H6.H2/c1-7(9)8-5-3-2-4-6-8;1-2;/h2-6H,1H3;1-2H3;1H
InChIKeyUVFRGEDFZFNUKA-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.16
Rot. Bonds1

About ethane;molecular hydrogen;1-phenylethanone

ethane;molecular hydrogen;1-phenylethanone (PubChem CID 143067772) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;molecular hydrogen;1-phenylethanone.

Molecular Properties

Compound Nameethane;molecular hydrogen;1-phenylethanone
PubChem CID143067772
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Nameethane;molecular hydrogen;1-phenylethanone
SMILESCC.CC(=O)c1ccccc1.[H][H]
InChIInChI=1S/C8H8O.C2H6.H2/c1-7(9)8-5-3-2-4-6-8;1-2;/h2-6H,1H3;1-2H3;1H
InChIKeyUVFRGEDFZFNUKA-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;1-phenylethanone?
The IUPAC name of ethane;molecular hydrogen;1-phenylethanone (CID 143067772) is ethane;molecular hydrogen;1-phenylethanone.
What is the SMILES notation for ethane;molecular hydrogen;1-phenylethanone?
The canonical SMILES for ethane;molecular hydrogen;1-phenylethanone is CC.CC(=O)c1ccccc1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;1-phenylethanone?
The InChIKey is UVFRGEDFZFNUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C2H6.H2/c1-7(9)8-5-3-2-4-6-8;1-2;/h2-6H,1H3;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;1-phenylethanone?
ethane;molecular hydrogen;1-phenylethanone has a molecular weight of 152.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;1-phenylethanone is sourced from PubChem (CID 143067772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).