4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene

C11H15ClOS — CID 146341812

IUPAC4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene
SMILESCCOc1cc(Cl)ccc1C(C)SC
InChIInChI=1S/C11H15ClOS/c1-4-13-11-7-9(12)5-6-10(11)8(2)14-3/h5-8H,4H2,1-3H3
InChIKeyGXMMYVUVFVLTRD-UHFFFAOYSA-N
MW230.76 g/mol
LogP4.16
Rot. Bonds4

About 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene

4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene (PubChem CID 146341812) has the molecular formula C11H15ClOS and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene.

Molecular Properties

Compound Name4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene
PubChem CID146341812
Molecular FormulaC11H15ClOS
Molecular Weight230.76 g/mol
Exact Mass230.05
IUPAC Name4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene
SMILESCCOc1cc(Cl)ccc1C(C)SC
InChIInChI=1S/C11H15ClOS/c1-4-13-11-7-9(12)5-6-10(11)8(2)14-3/h5-8H,4H2,1-3H3
InChIKeyGXMMYVUVFVLTRD-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene?
The IUPAC name of 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene (CID 146341812) is 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene.
What is the SMILES notation for 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene?
The canonical SMILES for 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene is CCOc1cc(Cl)ccc1C(C)SC.
What is the InChIKey of 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene?
The InChIKey is GXMMYVUVFVLTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOS/c1-4-13-11-7-9(12)5-6-10(11)8(2)14-3/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene?
4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene has a molecular weight of 230.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-1-(1-methylsulfanylethyl)benzene is sourced from PubChem (CID 146341812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).