1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene

C16H18O2S — CID 91879154

IUPAC1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
SMILESCCc1ccc(Sc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C16H18O2S/c1-4-12-5-8-15(11-16(12)18-3)19-14-9-6-13(17-2)7-10-14/h5-11H,4H2,1-3H3
InChIKeyHAQAORNZSMJXMM-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.42
Rot. Bonds5

About 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene

1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene (PubChem CID 91879154) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
PubChem CID91879154
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
SMILESCCc1ccc(Sc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C16H18O2S/c1-4-12-5-8-15(11-16(12)18-3)19-14-9-6-13(17-2)7-10-14/h5-11H,4H2,1-3H3
InChIKeyHAQAORNZSMJXMM-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-ethyl-5-(4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879151
2-[4-(4-methoxyphenyl)sulfanyl-2-methylphenyl]acetic acid
CID 91878952
2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91876566
4-[4-(carboxymethyl)-3-methoxyphenyl]sulfanylbenzoic acid
CID 91878652
4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
CID 91879142
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
2-[2-methoxy-4-(4-methoxycarbonylphenyl)sulfanylphenyl]acetic acid
CID 91879209
2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
CID 91876567
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane
CID 142071231
4-(4-ethylphenyl)sulfanyl-2-iodo-1-methoxybenzene
CID 91879120
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene (CID 91879154) is 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene is CCc1ccc(Sc2ccc(OC)cc2)cc1OC.
What is the InChIKey of 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
The InChIKey is HAQAORNZSMJXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-4-12-5-8-15(11-16(12)18-3)19-14-9-6-13(17-2)7-10-14/h5-11H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene?
1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene has a molecular weight of 274.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 91879154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).