1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one

C19H20O2 — CID 62034186

IUPAC1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one
SMILESC=CCc1ccccc1OC(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20O2/c1-4-7-16-8-5-6-9-18(16)21-15(3)19(20)17-12-10-14(2)11-13-17/h4-6,8-13,15H,1,7H2,2-3H3
InChIKeyIVISIKYGYHAQSH-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.37
Rot. Bonds6

About 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one

1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one (PubChem CID 62034186) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one
PubChem CID62034186
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one
SMILESC=CCc1ccccc1OC(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20O2/c1-4-7-16-8-5-6-9-18(16)21-15(3)19(20)17-12-10-14(2)11-13-17/h4-6,8-13,15H,1,7H2,2-3H3
InChIKeyIVISIKYGYHAQSH-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one
CID 62034536
1-(4-methylphenyl)-2-(2-prop-1-enylphenoxy)propan-1-one
CID 76999449
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
1-(4-methylphenyl)-2-(2-methylsulfanylphenoxy)propan-1-one
CID 63647844
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
CID 63654138
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one (CID 62034186) is 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one is C=CCc1ccccc1OC(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one?
The InChIKey is IVISIKYGYHAQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-4-7-16-8-5-6-9-18(16)21-15(3)19(20)17-12-10-14(2)11-13-17/h4-6,8-13,15H,1,7H2,2-3H3.
What are the key properties of 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one?
1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one is sourced from PubChem (CID 62034186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).