2-methyl-1-(4-propoxyphenyl)propan-1-one

C13H18O2 — CID 595976

IUPAC2-methyl-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C13H18O2/c1-4-9-15-12-7-5-11(6-8-12)13(14)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeySNNUAMJUIRMPAL-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-1-(4-propoxyphenyl)propan-1-one

2-methyl-1-(4-propoxyphenyl)propan-1-one (PubChem CID 595976) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-1-(4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-propoxyphenyl)propan-1-one
PubChem CID595976
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C13H18O2/c1-4-9-15-12-7-5-11(6-8-12)13(14)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeySNNUAMJUIRMPAL-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one
CID 116613497
2-ethyl-1-(4-propoxyphenyl)hexan-1-one
CID 114971018
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
1-[4-(3-azidopropoxy)phenyl]-2-methylpropan-1-one
CID 168836511
2-methyl-1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 169034886
2-[4-(2-methylpropanoyl)phenoxy]acetonitrile
CID 82076680
2-amino-1-(4-decoxyphenyl)propan-1-one
CID 19897003
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
2,2-dichloro-1-(4-pentoxyphenyl)ethanone
CID 82627435
[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
CID 58981515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propoxyphenyl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-propoxyphenyl)propan-1-one (CID 595976) is 2-methyl-1-(4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-propoxyphenyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-propoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-1-(4-propoxyphenyl)propan-1-one?
The InChIKey is SNNUAMJUIRMPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-9-15-12-7-5-11(6-8-12)13(14)10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-methyl-1-(4-propoxyphenyl)propan-1-one?
2-methyl-1-(4-propoxyphenyl)propan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 595976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).