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

C17H18O2S2 — CID 19989602

IUPAC2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
SMILESCOc1ccc(COc2ccc(C3SCCS3)cc2)cc1
InChIInChI=1S/C17H18O2S2/c1-18-15-6-2-13(3-7-15)12-19-16-8-4-14(5-9-16)17-20-10-11-21-17/h2-9,17H,10-12H2,1H3
InChIKeyQDXYZKVWKBFMNO-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.75
Rot. Bonds5

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

2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane (PubChem CID 19989602) has the molecular formula C17H18O2S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
PubChem CID19989602
Molecular FormulaC17H18O2S2
Molecular Weight318.46 g/mol
Exact Mass318.07
IUPAC Name2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
SMILESCOc1ccc(COc2ccc(C3SCCS3)cc2)cc1
InChIInChI=1S/C17H18O2S2/c1-18-15-6-2-13(3-7-15)12-19-16-8-4-14(5-9-16)17-20-10-11-21-17/h2-9,17H,10-12H2,1H3
InChIKeyQDXYZKVWKBFMNO-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane (CID 19989602) is 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane is COc1ccc(COc2ccc(C3SCCS3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane?
The InChIKey is QDXYZKVWKBFMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S2/c1-18-15-6-2-13(3-7-15)12-19-16-8-4-14(5-9-16)17-20-10-11-21-17/h2-9,17H,10-12H2,1H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane?
2-[4-[(4-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-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane is sourced from PubChem (CID 19989602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).