1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone

C17H24O2 — CID 103555876

IUPAC1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
SMILESCCCCc1ccc(C(=O)CC2(OC)CCC2)cc1
InChIInChI=1S/C17H24O2/c1-3-4-6-14-7-9-15(10-8-14)16(18)13-17(19-2)11-5-12-17/h7-10H,3-6,11-13H2,1-2H3
InChIKeyGMBKVQLIRSHKNI-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds7

About 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone

1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103555876) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103555876
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
SMILESCCCCc1ccc(C(=O)CC2(OC)CCC2)cc1
InChIInChI=1S/C17H24O2/c1-3-4-6-14-7-9-15(10-8-14)16(18)13-17(19-2)11-5-12-17/h7-10H,3-6,11-13H2,1-2H3
InChIKeyGMBKVQLIRSHKNI-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558404
1-(4-butylphenyl)-3-methylbutan-1-one
CID 43160107
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
1-(4-butylphenyl)-5-chloropentan-1-one
CID 146005458
2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 103556021
[4-(4-butylbenzoyl)oxycyclohexyl] 4-butylbenzoate
CID 21028980
2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone (CID 103555876) is 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone is CCCCc1ccc(C(=O)CC2(OC)CCC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is GMBKVQLIRSHKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-4-6-14-7-9-15(10-8-14)16(18)13-17(19-2)11-5-12-17/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone?
1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103555876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).