1-methoxy-3-(4-methylheptylsulfonyl)benzene

C15H24O3S — CID 143090570

IUPAC1-methoxy-3-(4-methylheptylsulfonyl)benzene
SMILESCCCC(C)CCCS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C15H24O3S/c1-4-7-13(2)8-6-11-19(16,17)15-10-5-9-14(12-15)18-3/h5,9-10,12-13H,4,6-8,11H2,1-3H3
InChIKeyJDPFZOACMWWADZ-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.69
Rot. Bonds8

About 1-methoxy-3-(4-methylheptylsulfonyl)benzene

1-methoxy-3-(4-methylheptylsulfonyl)benzene (PubChem CID 143090570) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-methoxy-3-(4-methylheptylsulfonyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(4-methylheptylsulfonyl)benzene
PubChem CID143090570
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name1-methoxy-3-(4-methylheptylsulfonyl)benzene
SMILESCCCC(C)CCCS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C15H24O3S/c1-4-7-13(2)8-6-11-19(16,17)15-10-5-9-14(12-15)18-3/h5,9-10,12-13H,4,6-8,11H2,1-3H3
InChIKeyJDPFZOACMWWADZ-UHFFFAOYSA-N
XLogP3.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-diethoxypropylsulfonyl)-3-methoxybenzene
CID 64643692
3-(3-methoxyphenyl)sulfonylheptan-4-amine
CID 64646750
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
1-butylsulfonyl-3-propan-2-ylbenzene
CID 126760572
1-butylsulfonyl-4-methoxybenzene
CID 12696371
(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
CID 175231435
1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine
CID 98035714
3-methoxybenzenesulfonamide
CID 14763060

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methylheptylsulfonyl)benzene?
The IUPAC name of 1-methoxy-3-(4-methylheptylsulfonyl)benzene (CID 143090570) is 1-methoxy-3-(4-methylheptylsulfonyl)benzene.
What is the SMILES notation for 1-methoxy-3-(4-methylheptylsulfonyl)benzene?
The canonical SMILES for 1-methoxy-3-(4-methylheptylsulfonyl)benzene is CCCC(C)CCCS(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-(4-methylheptylsulfonyl)benzene?
The InChIKey is JDPFZOACMWWADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-4-7-13(2)8-6-11-19(16,17)15-10-5-9-14(12-15)18-3/h5,9-10,12-13H,4,6-8,11H2,1-3H3.
What are the key properties of 1-methoxy-3-(4-methylheptylsulfonyl)benzene?
1-methoxy-3-(4-methylheptylsulfonyl)benzene has a molecular weight of 284.42 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methylheptylsulfonyl)benzene is sourced from PubChem (CID 143090570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).