4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol

C19H23IOS — CID 142025542

IUPAC4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol
SMILESCc1cc(O)c(Sc2ccccc2CCCC(C)C)cc1I
InChIInChI=1S/C19H23IOS/c1-13(2)7-6-9-15-8-4-5-10-18(15)22-19-12-16(20)14(3)11-17(19)21/h4-5,8,10-13,21H,6-7,9H2,1-3H3
InChIKeyUOELDYFMNTVBST-UHFFFAOYSA-N
MW426.36 g/mol
LogP6.44
Rot. Bonds6

About 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol

4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol (PubChem CID 142025542) has the molecular formula C19H23IOS and a molecular weight of 426.36 g/mol. Its IUPAC name is 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol
PubChem CID142025542
Molecular FormulaC19H23IOS
Molecular Weight426.36 g/mol
Exact Mass426.05
IUPAC Name4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol
SMILESCc1cc(O)c(Sc2ccccc2CCCC(C)C)cc1I
InChIInChI=1S/C19H23IOS/c1-13(2)7-6-9-15-8-4-5-10-18(15)22-19-12-16(20)14(3)11-17(19)21/h4-5,8,10-13,21H,6-7,9H2,1-3H3
InChIKeyUOELDYFMNTVBST-UHFFFAOYSA-N
XLogP6.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.36
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol 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-[(dimethylamino)methyl]phenyl]sulfanyl-4-iodo-5-methylphenol
CID 20817904
2-methyl-3-(4-methylpentyl)phenol
CID 154091292
3-methyl-2-(4-methylpentyl)phenol
CID 23036638
2,6-bis(6-methylheptyl)phenol
CID 14252215
nickel;1-octyl-2-(2-octylphenyl)sulfanylbenzene
CID 87071455
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
2-iodo-1-methyl-4-(3-methylbutyl)benzene
CID 58773799
4-(13-methyltetradecyl)benzene-1,3-diol
CID 10268006
2-(3-hydroxy-7-methyloctyl)phenol
CID 173316016
1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
CID 177208667
[2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium
CID 6947704

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol?
The IUPAC name of 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol (CID 142025542) is 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol.
What is the SMILES notation for 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol?
The canonical SMILES for 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol is Cc1cc(O)c(Sc2ccccc2CCCC(C)C)cc1I.
What is the InChIKey of 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol?
The InChIKey is UOELDYFMNTVBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IOS/c1-13(2)7-6-9-15-8-4-5-10-18(15)22-19-12-16(20)14(3)11-17(19)21/h4-5,8,10-13,21H,6-7,9H2,1-3H3.
What are the key properties of 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol?
4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol has a molecular weight of 426.36 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol is sourced from PubChem (CID 142025542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).