2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane

C17H18O2S2 — CID 19989635

IUPAC2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
SMILESCOc1cccc(COc2ccc(C3SCCS3)cc2)c1
InChIInChI=1S/C17H18O2S2/c1-18-16-4-2-3-13(11-16)12-19-15-7-5-14(6-8-15)17-20-9-10-21-17/h2-8,11,17H,9-10,12H2,1H3
InChIKeyJBFZLEPBCUFHEU-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.75
Rot. Bonds5

About 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane

2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane (PubChem CID 19989635) has the molecular formula C17H18O2S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
PubChem CID19989635
Molecular FormulaC17H18O2S2
Molecular Weight318.46 g/mol
Exact Mass318.07
IUPAC Name2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
SMILESCOc1cccc(COc2ccc(C3SCCS3)cc2)c1
InChIInChI=1S/C17H18O2S2/c1-18-16-4-2-3-13(11-16)12-19-15-7-5-14(6-8-15)17-20-9-10-21-17/h2-8,11,17H,9-10,12H2,1H3
InChIKeyJBFZLEPBCUFHEU-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]-1,3-dithiane
CID 19989566
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
2-(3-methoxyphenyl)-1,3-dithiane
CID 11276210
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
3-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842579
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane?
The IUPAC name of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane (CID 19989635) is 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane is COc1cccc(COc2ccc(C3SCCS3)cc2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane?
The InChIKey is JBFZLEPBCUFHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S2/c1-18-16-4-2-3-13(11-16)12-19-15-7-5-14(6-8-15)17-20-9-10-21-17/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane?
2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane has a molecular weight of 318.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane is sourced from PubChem (CID 19989635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).