1-phenylethanone;styrene

C16H16O — CID 19811140

IUPAC1-phenylethanone;styrene
SMILESC=Cc1ccccc1.CC(=O)c1ccccc1
InChIInChI=1S/C8H8O.C8H8/c1-7(9)8-5-3-2-4-6-8;1-2-8-6-4-3-5-7-8/h2-6H,1H3;2-7H,1H2
InChIKeyFHAUUNLPXLZHTB-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.22
Rot. Bonds2

About 1-phenylethanone;styrene

1-phenylethanone;styrene (PubChem CID 19811140) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-phenylethanone;styrene.

Molecular Properties

Compound Name1-phenylethanone;styrene
PubChem CID19811140
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-phenylethanone;styrene
SMILESC=Cc1ccccc1.CC(=O)c1ccccc1
InChIInChI=1S/C8H8O.C8H8/c1-7(9)8-5-3-2-4-6-8;1-2-8-6-4-3-5-7-8/h2-6H,1H3;2-7H,1H2
InChIKeyFHAUUNLPXLZHTB-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethanone;prop-2-enoic acid
CID 67861534
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
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CID 56843857
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
chloroform;propan-2-one;styrene
CID 70453221
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
styrene;1,2,2-triphenylethenylbenzene
CID 161183519
prop-2-enoic acid;styrene
CID 160851252

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanone;styrene?
The IUPAC name of 1-phenylethanone;styrene (CID 19811140) is 1-phenylethanone;styrene.
What is the SMILES notation for 1-phenylethanone;styrene?
The canonical SMILES for 1-phenylethanone;styrene is C=Cc1ccccc1.CC(=O)c1ccccc1.
What is the InChIKey of 1-phenylethanone;styrene?
The InChIKey is FHAUUNLPXLZHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C8H8/c1-7(9)8-5-3-2-4-6-8;1-2-8-6-4-3-5-7-8/h2-6H,1H3;2-7H,1H2.
What are the key properties of 1-phenylethanone;styrene?
1-phenylethanone;styrene has a molecular weight of 224.30 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanone;styrene is sourced from PubChem (CID 19811140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).