4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol

C18H22O3S — CID 134318371

IUPAC4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol
SMILESCCSC(c1ccc(O)cc1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C18H22O3S/c1-5-22-18(13-6-8-14(19)9-7-13)17-15(20-3)10-12(2)11-16(17)21-4/h6-11,18-19H,5H2,1-4H3
InChIKeyPGFZYDYQJUWOEH-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.56
Rot. Bonds6

About 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol

4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol (PubChem CID 134318371) has the molecular formula C18H22O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol.

Molecular Properties

Compound Name4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol
PubChem CID134318371
Molecular FormulaC18H22O3S
Molecular Weight318.44 g/mol
Exact Mass318.13
IUPAC Name4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol
SMILESCCSC(c1ccc(O)cc1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C18H22O3S/c1-5-22-18(13-6-8-14(19)9-7-13)17-15(20-3)10-12(2)11-16(17)21-4/h6-11,18-19H,5H2,1-4H3
InChIKeyPGFZYDYQJUWOEH-UHFFFAOYSA-N
XLogP4.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene
CID 134318324
methyl 4-[ethylsulfanyl-(2-methoxy-5-methylphenyl)methyl]benzoate
CID 134318373
4-[bis(ethylsulfanyl)methyl]phenol
CID 11436127
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
CID 106680203
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
4-[2-[4-[1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
CID 123762733

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol?
The IUPAC name of 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol (CID 134318371) is 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol.
What is the SMILES notation for 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol?
The canonical SMILES for 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol is CCSC(c1ccc(O)cc1)c1c(OC)cc(C)cc1OC.
What is the InChIKey of 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol?
The InChIKey is PGFZYDYQJUWOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3S/c1-5-22-18(13-6-8-14(19)9-7-13)17-15(20-3)10-12(2)11-16(17)21-4/h6-11,18-19H,5H2,1-4H3.
What are the key properties of 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol?
4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol has a molecular weight of 318.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol is sourced from PubChem (CID 134318371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).