1-(2-butyl-4-methoxyphenyl)ethanone

C13H18O2 — CID 67001427

IUPAC1-(2-butyl-4-methoxyphenyl)ethanone
SMILESCCCCc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C13H18O2/c1-4-5-6-11-9-12(15-3)7-8-13(11)10(2)14/h7-9H,4-6H2,1-3H3
InChIKeyWBOSLHYDDPQLTI-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.24
Rot. Bonds5

About 1-(2-butyl-4-methoxyphenyl)ethanone

1-(2-butyl-4-methoxyphenyl)ethanone (PubChem CID 67001427) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2-butyl-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-butyl-4-methoxyphenyl)ethanone
PubChem CID67001427
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(2-butyl-4-methoxyphenyl)ethanone
SMILESCCCCc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C13H18O2/c1-4-5-6-11-9-12(15-3)7-8-13(11)10(2)14/h7-9H,4-6H2,1-3H3
InChIKeyWBOSLHYDDPQLTI-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-heptyl-4-methoxybenzoic acid
CID 174870119
1,2-dibutyl-4-methoxybenzene
CID 153315966
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
N-[(2-butyl-5-methoxyphenyl)methyl]butanamide
CID 71107303
iron;1-(2,3,4-tributylphenyl)ethanone
CID 70631281
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate
CID 25022723
1-(2-bromo-5-methoxyphenyl)heptan-4-one
CID 65325757
1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
CID 58236539
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-butyl-4-methoxyphenyl)ethanone (CID 67001427) is 1-(2-butyl-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-butyl-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-butyl-4-methoxyphenyl)ethanone is CCCCc1cc(OC)ccc1C(C)=O.
What is the InChIKey of 1-(2-butyl-4-methoxyphenyl)ethanone?
The InChIKey is WBOSLHYDDPQLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-5-6-11-9-12(15-3)7-8-13(11)10(2)14/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(2-butyl-4-methoxyphenyl)ethanone?
1-(2-butyl-4-methoxyphenyl)ethanone has a molecular weight of 206.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-4-methoxyphenyl)ethanone is sourced from PubChem (CID 67001427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).