1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene

C19H24O2S — CID 91261383

IUPAC1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene
SMILESCOc1ccc(C(C)(C)c2ccc(OC(C)SC)cc2)cc1
InChIInChI=1S/C19H24O2S/c1-14(22-5)21-18-12-8-16(9-13-18)19(2,3)15-6-10-17(20-4)11-7-15/h6-14H,1-5H3
InChIKeyNEIDLDCHPZPMGG-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.11
Rot. Bonds6

About 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene

1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene (PubChem CID 91261383) has the molecular formula C19H24O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene
PubChem CID91261383
Molecular FormulaC19H24O2S
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene
SMILESCOc1ccc(C(C)(C)c2ccc(OC(C)SC)cc2)cc1
InChIInChI=1S/C19H24O2S/c1-14(22-5)21-18-12-8-16(9-13-18)19(2,3)15-6-10-17(20-4)11-7-15/h6-14H,1-5H3
InChIKeyNEIDLDCHPZPMGG-UHFFFAOYSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530
1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene
CID 123567151
1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
CID 59043103
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
CID 118398991
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
1-methoxy-4-[2-[4-(4-propan-2-ylsulfonylphenoxy)phenyl]propan-2-yl]benzene
CID 135139809
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene (CID 91261383) is 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene is COc1ccc(C(C)(C)c2ccc(OC(C)SC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene?
The InChIKey is NEIDLDCHPZPMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2S/c1-14(22-5)21-18-12-8-16(9-13-18)19(2,3)15-6-10-17(20-4)11-7-15/h6-14H,1-5H3.
What are the key properties of 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene?
1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene has a molecular weight of 316.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[4-(1-methylsulfanylethoxy)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 91261383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).