1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene

C18H22O2S2 — CID 175444939

IUPAC1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
SMILESCOc1ccccc1CCSSCCc1ccccc1OC
InChIInChI=1S/C18H22O2S2/c1-19-17-9-5-3-7-15(17)11-13-21-22-14-12-16-8-4-6-10-18(16)20-2/h3-10H,11-14H2,1-2H3
InChIKeyDLMVMTRAVUCNJJ-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.87
Rot. Bonds9

About 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene

1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene (PubChem CID 175444939) has the molecular formula C18H22O2S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
PubChem CID175444939
Molecular FormulaC18H22O2S2
Molecular Weight334.51 g/mol
Exact Mass334.11
IUPAC Name1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
SMILESCOc1ccccc1CCSSCCc1ccccc1OC
InChIInChI=1S/C18H22O2S2/c1-19-17-9-5-3-7-15(17)11-13-21-22-14-12-16-8-4-6-10-18(16)20-2/h3-10H,11-14H2,1-2H3
InChIKeyDLMVMTRAVUCNJJ-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-(2-phenylsulfanylethyl)benzene
CID 101404831
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
2-[2-(2-methoxyphenyl)ethylsulfanyl]acetic acid
CID 94768509
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
acetylene;1-(2-bromoethyl)-2-methoxybenzene
CID 143927772
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
1-methoxy-2-tetradecylbenzene
CID 69169530
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
lithium (2-methoxyphenyl)methanolate
CID 139799103

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene?
The IUPAC name of 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene (CID 175444939) is 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene.
What is the SMILES notation for 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene?
The canonical SMILES for 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene is COc1ccccc1CCSSCCc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene?
The InChIKey is DLMVMTRAVUCNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S2/c1-19-17-9-5-3-7-15(17)11-13-21-22-14-12-16-8-4-6-10-18(16)20-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene?
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene has a molecular weight of 334.51 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene is sourced from PubChem (CID 175444939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).