2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane

C16H22O2S2 — CID 10267421

IUPAC2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane
SMILESCC1(c2ccc(OC3CCCCO3)cc2)SCCCS1
InChIInChI=1S/C16H22O2S2/c1-16(19-11-4-12-20-16)13-6-8-14(9-7-13)18-15-5-2-3-10-17-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyUATZKEWMNNGNQY-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.63
Rot. Bonds3

About 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane

2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane (PubChem CID 10267421) has the molecular formula C16H22O2S2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane.

Molecular Properties

Compound Name2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane
PubChem CID10267421
Molecular FormulaC16H22O2S2
Molecular Weight310.48 g/mol
Exact Mass310.11
IUPAC Name2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane
SMILESCC1(c2ccc(OC3CCCCO3)cc2)SCCCS1
InChIInChI=1S/C16H22O2S2/c1-16(19-11-4-12-20-16)13-6-8-14(9-7-13)18-15-5-2-3-10-17-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyUATZKEWMNNGNQY-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
2-(4-methoxyphenoxy)oxolane
CID 135060561
2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane
CID 159621581
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
1-[4-(oxan-2-yloxy)phenyl]ethanamine
CID 160804059
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
(2R)-2-(4-nitrophenoxy)oxane
CID 101172898
triethoxy-[4-(oxan-2-yloxy)phenyl]silane
CID 71105884
2-[4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59724363

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane?
The IUPAC name of 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane (CID 10267421) is 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane.
What is the SMILES notation for 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane?
The canonical SMILES for 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane is CC1(c2ccc(OC3CCCCO3)cc2)SCCCS1.
What is the InChIKey of 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane?
The InChIKey is UATZKEWMNNGNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S2/c1-16(19-11-4-12-20-16)13-6-8-14(9-7-13)18-15-5-2-3-10-17-15/h6-9,15H,2-5,10-12H2,1H3.
What are the key properties of 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane?
2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane has a molecular weight of 310.48 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,3-dithian-2-yl)phenoxy]oxane is sourced from PubChem (CID 10267421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).