2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene

C20H26O4S — CID 151554514

IUPAC2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
SMILESCOCc1cccc(COC)c1Sc1c(COC)cccc1COC
InChIInChI=1S/C20H26O4S/c1-21-11-15-7-5-8-16(12-22-2)19(15)25-20-17(13-23-3)9-6-10-18(20)14-24-4/h5-10H,11-14H2,1-4H3
InChIKeyQBEQDILECQNUBR-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.42
Rot. Bonds10

About 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene

2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene (PubChem CID 151554514) has the molecular formula C20H26O4S and a molecular weight of 362.49 g/mol. Its IUPAC name is 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene.

Molecular Properties

Compound Name2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
PubChem CID151554514
Molecular FormulaC20H26O4S
Molecular Weight362.49 g/mol
Exact Mass362.16
IUPAC Name2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
SMILESCOCc1cccc(COC)c1Sc1c(COC)cccc1COC
InChIInChI=1S/C20H26O4S/c1-21-11-15-7-5-8-16(12-22-2)19(15)25-20-17(13-23-3)9-6-10-18(20)14-24-4/h5-10H,11-14H2,1-4H3
InChIKeyQBEQDILECQNUBR-UHFFFAOYSA-N
XLogP4.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene 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

tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
3-(methoxymethyl)benzene-1,2-diamine
CID 45116640
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
CID 70193365
1,8-bis(methoxymethyl)-9H-fluorene
CID 176835432
3-(methoxymethyl)-2-methylaniline
CID 14801184
CID 123655745
CID 123655745
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
CID 88945254
CID 88945254
2-azido-1,3-bis(methoxymethyl)benzene
CID 11127473
[2-(methoxymethyl)phenyl]azaniumylideneazanide
CID 163989337
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene?
The IUPAC name of 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene (CID 151554514) is 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene.
What is the SMILES notation for 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene?
The canonical SMILES for 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene is COCc1cccc(COC)c1Sc1c(COC)cccc1COC.
What is the InChIKey of 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene?
The InChIKey is QBEQDILECQNUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4S/c1-21-11-15-7-5-8-16(12-22-2)19(15)25-20-17(13-23-3)9-6-10-18(20)14-24-4/h5-10H,11-14H2,1-4H3.
What are the key properties of 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene?
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene has a molecular weight of 362.49 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene is sourced from PubChem (CID 151554514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).