ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol

C19H28OS — CID 143656907

IUPACethane;4-(3-ethylsulfanylphenyl)-2-methylphenol
SMILESCC.CC.CCSc1cccc(-c2ccc(O)c(C)c2)c1
InChIInChI=1S/C15H16OS.2C2H6/c1-3-17-14-6-4-5-12(10-14)13-7-8-15(16)11(2)9-13;2*1-2/h4-10,16H,3H2,1-2H3;2*1-2H3
InChIKeyKMFKFGOCOXNYKW-UHFFFAOYSA-N
MW304.50 g/mol
LogP6.53
Rot. Bonds3

About ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol

ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol (PubChem CID 143656907) has the molecular formula C19H28OS and a molecular weight of 304.50 g/mol. Its IUPAC name is ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol.

Molecular Properties

Compound Nameethane;4-(3-ethylsulfanylphenyl)-2-methylphenol
PubChem CID143656907
Molecular FormulaC19H28OS
Molecular Weight304.50 g/mol
Exact Mass304.19
IUPAC Nameethane;4-(3-ethylsulfanylphenyl)-2-methylphenol
SMILESCC.CC.CCSc1cccc(-c2ccc(O)c(C)c2)c1
InChIInChI=1S/C15H16OS.2C2H6/c1-3-17-14-6-4-5-12(10-14)13-7-8-15(16)11(2)9-13;2*1-2/h4-10,16H,3H2,1-2H3;2*1-2H3
InChIKeyKMFKFGOCOXNYKW-UHFFFAOYSA-N
XLogP6.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol?
The IUPAC name of ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol (CID 143656907) is ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol.
What is the SMILES notation for ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol?
The canonical SMILES for ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol is CC.CC.CCSc1cccc(-c2ccc(O)c(C)c2)c1.
What is the InChIKey of ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol?
The InChIKey is KMFKFGOCOXNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS.2C2H6/c1-3-17-14-6-4-5-12(10-14)13-7-8-15(16)11(2)9-13;2*1-2/h4-10,16H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol?
ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol has a molecular weight of 304.50 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-ethylsulfanylphenyl)-2-methylphenol is sourced from PubChem (CID 143656907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).