1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene

C15H24O4S — CID 103413417

IUPAC1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene
SMILESCOCCOCCCSc1ccc(C(OC)OC)cc1
InChIInChI=1S/C15H24O4S/c1-16-10-11-19-9-4-12-20-14-7-5-13(6-8-14)15(17-2)18-3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyMVOGOEGGZRGPFA-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.12
Rot. Bonds11

About 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene

1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene (PubChem CID 103413417) has the molecular formula C15H24O4S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene
PubChem CID103413417
Molecular FormulaC15H24O4S
Molecular Weight300.42 g/mol
Exact Mass300.14
IUPAC Name1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene
SMILESCOCCOCCCSc1ccc(C(OC)OC)cc1
InChIInChI=1S/C15H24O4S/c1-16-10-11-19-9-4-12-20-14-7-5-13(6-8-14)15(17-2)18-3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyMVOGOEGGZRGPFA-UHFFFAOYSA-N
XLogP3.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyethoxy)propylsulfanyl]benzoic acid
CID 103408928
3-(methoxymethoxy)propylsulfanylbenzene
CID 11344888
2-[4-(3-methoxypropylsulfanyl)phenyl]acetic acid
CID 64928366
4-(3-methoxypropylsulfanyl)benzaldehyde
CID 63857081
1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
CID 63835748
5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole
CID 103015623
N-[[4-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 103184284
4-[[4-(dimethoxymethyl)phenyl]sulfanylmethyl]oxane
CID 113384587
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-[3-(6-bromohexoxy)propylsulfanyl]-4-methylbenzene
CID 23045317
2-[4-(3-methoxypropylsulfanyl)phenyl]prop-2-enamide
CID 143392310
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene?
The IUPAC name of 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene (CID 103413417) is 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene.
What is the SMILES notation for 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene?
The canonical SMILES for 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene is COCCOCCCSc1ccc(C(OC)OC)cc1.
What is the InChIKey of 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene?
The InChIKey is MVOGOEGGZRGPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4S/c1-16-10-11-19-9-4-12-20-14-7-5-13(6-8-14)15(17-2)18-3/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene?
1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene has a molecular weight of 300.42 g/mol, XLogP of 3.12, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-4-[3-(2-methoxyethoxy)propylsulfanyl]benzene is sourced from PubChem (CID 103413417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).