4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol

C15H24O2S — CID 143290771

IUPAC4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol
SMILESCCC(Cc1ccc(O)cc1O)CC(C)(C)SC
InChIInChI=1S/C15H24O2S/c1-5-11(10-15(2,3)18-4)8-12-6-7-13(16)9-14(12)17/h6-7,9,11,16-17H,5,8,10H2,1-4H3
InChIKeyBWTDDDNDXRYGFK-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.20
Rot. Bonds6

About 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol

4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol (PubChem CID 143290771) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol
PubChem CID143290771
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol
SMILESCCC(Cc1ccc(O)cc1O)CC(C)(C)SC
InChIInChI=1S/C15H24O2S/c1-5-11(10-15(2,3)18-4)8-12-6-7-13(16)9-14(12)17/h6-7,9,11,16-17H,5,8,10H2,1-4H3
InChIKeyBWTDDDNDXRYGFK-UHFFFAOYSA-N
XLogP4.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol?
The IUPAC name of 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol (CID 143290771) is 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol.
What is the SMILES notation for 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol?
The canonical SMILES for 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol is CCC(Cc1ccc(O)cc1O)CC(C)(C)SC.
What is the InChIKey of 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol?
The InChIKey is BWTDDDNDXRYGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-5-11(10-15(2,3)18-4)8-12-6-7-13(16)9-14(12)17/h6-7,9,11,16-17H,5,8,10H2,1-4H3.
What are the key properties of 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol?
4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol has a molecular weight of 268.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol is sourced from PubChem (CID 143290771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).