3-(2-methylphenyl)prop-1-en-1-one

C10H10O — CID 91043821

IUPAC3-(2-methylphenyl)prop-1-en-1-one
SMILESCc1ccccc1CC=C=O
InChIInChI=1S/C10H10O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-6H,7H2,1H3
InChIKeySLENYKRWQNKOOJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.93
Rot. Bonds2

About 3-(2-methylphenyl)prop-1-en-1-one

3-(2-methylphenyl)prop-1-en-1-one (PubChem CID 91043821) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(2-methylphenyl)prop-1-en-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)prop-1-en-1-one
PubChem CID91043821
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name3-(2-methylphenyl)prop-1-en-1-one
SMILESCc1ccccc1CC=C=O
InChIInChI=1S/C10H10O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-6H,7H2,1H3
InChIKeySLENYKRWQNKOOJ-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-[(E)-4-chlorobut-2-enyl]-2-methylbenzene
CID 12937441
ethane;(2-methylphenyl)methanethiol
CID 142152334
3-(4-methylphenyl)prop-1-en-1-one
CID 54502931
3-(2-methylphenyl)propanal
CID 15191870
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
1-(2,2-difluoro-2-isocyanatoethyl)-2-methylbenzene
CID 105450437
ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene
CID 163273816
1-methyl-2-octa-2,6-dienylbenzene
CID 123258139
(Z)-5-(2-methylphenyl)pent-3-en-1-ol
CID 117267923
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
CID 54424619

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)prop-1-en-1-one?
The IUPAC name of 3-(2-methylphenyl)prop-1-en-1-one (CID 91043821) is 3-(2-methylphenyl)prop-1-en-1-one.
What is the SMILES notation for 3-(2-methylphenyl)prop-1-en-1-one?
The canonical SMILES for 3-(2-methylphenyl)prop-1-en-1-one is Cc1ccccc1CC=C=O.
What is the InChIKey of 3-(2-methylphenyl)prop-1-en-1-one?
The InChIKey is SLENYKRWQNKOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-6H,7H2,1H3.
What are the key properties of 3-(2-methylphenyl)prop-1-en-1-one?
3-(2-methylphenyl)prop-1-en-1-one has a molecular weight of 146.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)prop-1-en-1-one is sourced from PubChem (CID 91043821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).