2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene

C16H18O2S — CID 129214517

IUPAC2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene
SMILESCOc1cccc(SCc2cccc(C)c2OC)c1
InChIInChI=1S/C16H18O2S/c1-12-6-4-7-13(16(12)18-3)11-19-15-9-5-8-14(10-15)17-2/h4-10H,11H2,1-3H3
InChIKeyOVKOPOIVXBNLOI-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.30
Rot. Bonds5

About 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene

2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene (PubChem CID 129214517) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene.

Molecular Properties

Compound Name2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene
PubChem CID129214517
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene
SMILESCOc1cccc(SCc2cccc(C)c2OC)c1
InChIInChI=1S/C16H18O2S/c1-12-6-4-7-13(16(12)18-3)11-19-15-9-5-8-14(10-15)17-2/h4-10H,11H2,1-3H3
InChIKeyOVKOPOIVXBNLOI-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 13154004
2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 63580788
4-bromo-2-chloro-1-[(3-methoxyphenyl)sulfanylmethyl]benzene
CID 113471418
methyl 2-amino-6-[(3-methoxyphenyl)sulfanylmethyl]benzoate
CID 104825676
1-bromo-4-methoxy-2-[(3-methylphenyl)sulfanylmethyl]benzene
CID 65325949
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 65338277
4-fluoro-2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 107908839
5-[(3-methoxyphenyl)sulfanylmethyl]-3H-pyrrole
CID 141133590
7-bromo-4-[(3-methoxyphenyl)sulfanylmethyl]chromen-2-one
CID 35041299
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
3,6-dichloro-2-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 55127840

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene?
The IUPAC name of 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene (CID 129214517) is 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene.
What is the SMILES notation for 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene?
The canonical SMILES for 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene is COc1cccc(SCc2cccc(C)c2OC)c1.
What is the InChIKey of 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene?
The InChIKey is OVKOPOIVXBNLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-12-6-4-7-13(16(12)18-3)11-19-15-9-5-8-14(10-15)17-2/h4-10H,11H2,1-3H3.
What are the key properties of 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene?
2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene has a molecular weight of 274.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene is sourced from PubChem (CID 129214517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).