4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol

C15H14Cl2OS — CID 91029474

IUPAC4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol
SMILESCc1cc(SCc2ccc(Cl)c(Cl)c2)c(C)cc1O
InChIInChI=1S/C15H14Cl2OS/c1-9-6-15(10(2)5-14(9)18)19-8-11-3-4-12(16)13(17)7-11/h3-7,18H,8H2,1-2H3
InChIKeyZUILUMNVBVHOOQ-UHFFFAOYSA-N
MW313.25 g/mol
LogP5.61
Rot. Bonds3

About 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol

4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol (PubChem CID 91029474) has the molecular formula C15H14Cl2OS and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol
PubChem CID91029474
Molecular FormulaC15H14Cl2OS
Molecular Weight313.25 g/mol
Exact Mass312.01
IUPAC Name4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol
SMILESCc1cc(SCc2ccc(Cl)c(Cl)c2)c(C)cc1O
InChIInChI=1S/C15H14Cl2OS/c1-9-6-15(10(2)5-14(9)18)19-8-11-3-4-12(16)13(17)7-11/h3-7,18H,8H2,1-2H3
InChIKeyZUILUMNVBVHOOQ-UHFFFAOYSA-N
XLogP5.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.25
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methylaniline
CID 79146565
1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene
CID 12507907
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole
CID 19716025
5-chloro-2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylsulfanyl]phenol
CID 174468712
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937004
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]aniline
CID 43350016
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
CID 18209765
4-[(3,4-dichlorophenyl)methylsulfanyl]-3-fluoroaniline
CID 43303504
2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
CID 82051885
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
4-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2743435
6-[(3,4-dichlorophenyl)methylsulfanyl]-N,N-dimethyl-1,2,4,5-tetrazin-3-amine
CID 550900

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol?
The IUPAC name of 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol (CID 91029474) is 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol is Cc1cc(SCc2ccc(Cl)c(Cl)c2)c(C)cc1O.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol?
The InChIKey is ZUILUMNVBVHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2OS/c1-9-6-15(10(2)5-14(9)18)19-8-11-3-4-12(16)13(17)7-11/h3-7,18H,8H2,1-2H3.
What are the key properties of 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol?
4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol has a molecular weight of 313.25 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol is sourced from PubChem (CID 91029474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).