1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene

C18H22OS — CID 3045430

IUPAC1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
SMILESCCCC(Sc1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H22OS/c1-4-5-18(15-8-10-16(19-3)11-9-15)20-17-12-6-14(2)7-13-17/h6-13,18H,4-5H2,1-3H3
InChIKeyFKFCNLPRAKEYDJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.64
Rot. Bonds6

About 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene

1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene (PubChem CID 3045430) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
PubChem CID3045430
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
SMILESCCCC(Sc1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H22OS/c1-4-5-18(15-8-10-16(19-3)11-9-15)20-17-12-6-14(2)7-13-17/h6-13,18H,4-5H2,1-3H3
InChIKeyFKFCNLPRAKEYDJ-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
CID 101386257
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-3-phenylpropan-1-one
CID 101439265
1-methoxy-4-methylbenzene;propane
CID 142064987
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
1-(113C)methoxy-4-methylbenzene
CID 166176950
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 94019397
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
1-(1-chloropropylsulfanyl)-4-methoxybenzene
CID 67755677

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene?
The IUPAC name of 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene (CID 3045430) is 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene is CCCC(Sc1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene?
The InChIKey is FKFCNLPRAKEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-4-5-18(15-8-10-16(19-3)11-9-15)20-17-12-6-14(2)7-13-17/h6-13,18H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene?
1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene has a molecular weight of 286.44 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene is sourced from PubChem (CID 3045430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).