4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol

C20H22O2S — CID 139631748

IUPAC4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol
SMILESC=C(C)Cc1cc(Sc2ccc(O)c(CC(=C)C)c2)ccc1O
InChIInChI=1S/C20H22O2S/c1-13(2)9-15-11-17(5-7-19(15)21)23-18-6-8-20(22)16(12-18)10-14(3)4/h5-8,11-12,21-22H,1,3,9-10H2,2,4H3
InChIKeyQPIHDNGOFWISHB-UHFFFAOYSA-N
MW326.46 g/mol
LogP5.49
Rot. Bonds6

About 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol

4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol (PubChem CID 139631748) has the molecular formula C20H22O2S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol.

Molecular Properties

Compound Name4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol
PubChem CID139631748
Molecular FormulaC20H22O2S
Molecular Weight326.46 g/mol
Exact Mass326.13
IUPAC Name4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol
SMILESC=C(C)Cc1cc(Sc2ccc(O)c(CC(=C)C)c2)ccc1O
InChIInChI=1S/C20H22O2S/c1-13(2)9-15-11-17(5-7-19(15)21)23-18-6-8-20(22)16(12-18)10-14(3)4/h5-8,11-12,21-22H,1,3,9-10H2,2,4H3
InChIKeyQPIHDNGOFWISHB-UHFFFAOYSA-N
XLogP5.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylprop-2-enyl)benzene-1,4-diol
CID 19744956
2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
bis[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]methanone
CID 139631724
2-[5-(4-bromophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
CID 91877621
2-(anilinomethyl)-4-[3-(anilinomethyl)-4-hydroxyphenyl]sulfanylphenol
CID 165155700
2-(hydroxymethyl)-4-methylsulfanylphenol
CID 11789642
4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol
CID 137446435
2-fluoro-4-(2-methylprop-2-enyl)phenol
CID 142516267
2-(3-methylbut-3-enyl)benzene-1,4-diol
CID 23318481
1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol
CID 139631768
4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol;4-(4-hydroxyphenyl)sulfanylphenol
CID 161479517

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol?
The IUPAC name of 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol (CID 139631748) is 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol.
What is the SMILES notation for 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol?
The canonical SMILES for 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol is C=C(C)Cc1cc(Sc2ccc(O)c(CC(=C)C)c2)ccc1O.
What is the InChIKey of 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol?
The InChIKey is QPIHDNGOFWISHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2S/c1-13(2)9-15-11-17(5-7-19(15)21)23-18-6-8-20(22)16(12-18)10-14(3)4/h5-8,11-12,21-22H,1,3,9-10H2,2,4H3.
What are the key properties of 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol?
4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol has a molecular weight of 326.46 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol is sourced from PubChem (CID 139631748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).