1-(2-prop-1-en-2-ylphenyl)propan-2-one

C12H14O — CID 68638096

IUPAC1-(2-prop-1-en-2-ylphenyl)propan-2-one
SMILESC=C(C)c1ccccc1CC(C)=O
InChIInChI=1S/C12H14O/c1-9(2)12-7-5-4-6-11(12)8-10(3)13/h4-7H,1,8H2,2-3H3
InChIKeyMULJDNOVVIHSMG-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-prop-1-en-2-ylphenyl)propan-2-one

1-(2-prop-1-en-2-ylphenyl)propan-2-one (PubChem CID 68638096) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(2-prop-1-en-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-prop-1-en-2-ylphenyl)propan-2-one
PubChem CID68638096
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-(2-prop-1-en-2-ylphenyl)propan-2-one
SMILESC=C(C)c1ccccc1CC(C)=O
InChIInChI=1S/C12H14O/c1-9(2)12-7-5-4-6-11(12)8-10(3)13/h4-7H,1,8H2,2-3H3
InChIKeyMULJDNOVVIHSMG-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-hydroxy-2-prop-1-en-2-ylphenyl)propan-2-one
CID 89164195
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane
CID 142073226
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
[3-[1-[2-(2-oxopropyl)phenyl]ethenoxymethyl]phenyl]methyl 2-(2-oxopropyl)benzoate
CID 143438092
1-pent-4-enyl-2-prop-1-en-2-ylbenzene
CID 143278192
1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
CID 177208667
3-methyl-1-[2-(2-oxopropyl)phenyl]butan-2-one
CID 138721805
lithium 2-prop-1-en-2-ylbenzoate
CID 102161119

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-1-en-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(2-prop-1-en-2-ylphenyl)propan-2-one (CID 68638096) is 1-(2-prop-1-en-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-prop-1-en-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(2-prop-1-en-2-ylphenyl)propan-2-one is C=C(C)c1ccccc1CC(C)=O.
What is the InChIKey of 1-(2-prop-1-en-2-ylphenyl)propan-2-one?
The InChIKey is MULJDNOVVIHSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9(2)12-7-5-4-6-11(12)8-10(3)13/h4-7H,1,8H2,2-3H3.
What are the key properties of 1-(2-prop-1-en-2-ylphenyl)propan-2-one?
1-(2-prop-1-en-2-ylphenyl)propan-2-one has a molecular weight of 174.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-1-en-2-ylphenyl)propan-2-one is sourced from PubChem (CID 68638096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).