1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane

C15H22O3 — CID 158045693

IUPAC1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane
SMILESC.C=COCCCOc1ccc(C(C)=O)cc1C
InChIInChI=1S/C14H18O3.CH4/c1-4-16-8-5-9-17-14-7-6-13(12(3)15)10-11(14)2;/h4,6-7,10H,1,5,8-9H2,2-3H3;1H4
InChIKeyFIWNVFVZVQFDHO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.76
Rot. Bonds7

About 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane

1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane (PubChem CID 158045693) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane.

Molecular Properties

Compound Name1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane
PubChem CID158045693
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane
SMILESC.C=COCCCOc1ccc(C(C)=O)cc1C
InChIInChI=1S/C14H18O3.CH4/c1-4-16-8-5-9-17-14-7-6-13(12(3)15)10-11(14)2;/h4,6-7,10H,1,5,8-9H2,2-3H3;1H4
InChIKeyFIWNVFVZVQFDHO-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide
CID 113386950
1-[3-methyl-4-(3-methylbutoxy)phenyl]ethanone
CID 91636342
1-[3-methyl-4-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]phenyl]ethanone
CID 91053789
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
1-[4-(2-hydroxy-3-methoxypropoxy)-3-methylphenyl]ethanone
CID 112568355
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane?
The IUPAC name of 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane (CID 158045693) is 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane.
What is the SMILES notation for 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane?
The canonical SMILES for 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane is C.C=COCCCOc1ccc(C(C)=O)cc1C.
What is the InChIKey of 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane?
The InChIKey is FIWNVFVZVQFDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3.CH4/c1-4-16-8-5-9-17-14-7-6-13(12(3)15)10-11(14)2;/h4,6-7,10H,1,5,8-9H2,2-3H3;1H4.
What are the key properties of 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane?
1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane has a molecular weight of 250.34 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane is sourced from PubChem (CID 158045693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).