4-(2,4-diethylphenyl)sulfanylphenol

C16H18OS — CID 91879872

IUPAC4-(2,4-diethylphenyl)sulfanylphenol
SMILESCCc1ccc(Sc2ccc(O)cc2)c(CC)c1
InChIInChI=1S/C16H18OS/c1-3-12-5-10-16(13(4-2)11-12)18-15-8-6-14(17)7-9-15/h5-11,17H,3-4H2,1-2H3
InChIKeyCIIBNZYAXNLUGC-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.67
Rot. Bonds4

About 4-(2,4-diethylphenyl)sulfanylphenol

4-(2,4-diethylphenyl)sulfanylphenol (PubChem CID 91879872) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-(2,4-diethylphenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(2,4-diethylphenyl)sulfanylphenol
PubChem CID91879872
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name4-(2,4-diethylphenyl)sulfanylphenol
SMILESCCc1ccc(Sc2ccc(O)cc2)c(CC)c1
InChIInChI=1S/C16H18OS/c1-3-12-5-10-16(13(4-2)11-12)18-15-8-6-14(17)7-9-15/h5-11,17H,3-4H2,1-2H3
InChIKeyCIIBNZYAXNLUGC-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-4-ethylphenyl)sulfanylphenol
CID 91879878
4-[4-(carboxymethyl)-2-ethylphenyl]sulfanylbenzoic acid
CID 91878674
4-ethyl-2-(4-methylphenyl)sulfanylphenol
CID 22763953
2-[4-(2-ethyl-4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91878983
5-bromo-2-(4-ethylphenyl)sulfanylphenol
CID 91877717
4-(2,4-diethylphenyl)sulfonylphenol
CID 71331194
5-ethyl-2-(4-iodophenyl)sulfanylaniline
CID 91878146
ethane;4-ethylphenol;formaldehyde
CID 131698499
2-[5-cyano-2-(4-hydroxyphenyl)sulfanylphenyl]acetic acid
CID 91879606
3-chloro-4-(4-ethylphenyl)sulfanylbenzoic acid
CID 91878865
2-[2-(4-aminophenyl)sulfanyl-5-hydroxyphenyl]acetic acid
CID 91879688
4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
CID 91879142

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diethylphenyl)sulfanylphenol?
The IUPAC name of 4-(2,4-diethylphenyl)sulfanylphenol (CID 91879872) is 4-(2,4-diethylphenyl)sulfanylphenol.
What is the SMILES notation for 4-(2,4-diethylphenyl)sulfanylphenol?
The canonical SMILES for 4-(2,4-diethylphenyl)sulfanylphenol is CCc1ccc(Sc2ccc(O)cc2)c(CC)c1.
What is the InChIKey of 4-(2,4-diethylphenyl)sulfanylphenol?
The InChIKey is CIIBNZYAXNLUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-3-12-5-10-16(13(4-2)11-12)18-15-8-6-14(17)7-9-15/h5-11,17H,3-4H2,1-2H3.
What are the key properties of 4-(2,4-diethylphenyl)sulfanylphenol?
4-(2,4-diethylphenyl)sulfanylphenol has a molecular weight of 258.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diethylphenyl)sulfanylphenol is sourced from PubChem (CID 91879872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).