4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene

C15H14Cl2OS — CID 113373738

IUPAC4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CSc1ccc(CCl)cc1
InChIInChI=1S/C15H14Cl2OS/c1-18-15-7-4-13(17)8-12(15)10-19-14-5-2-11(9-16)3-6-14/h2-8H,9-10H2,1H3
InChIKeyOAILFLDOMWNAIV-UHFFFAOYSA-N
MW313.25 g/mol
LogP5.38
Rot. Bonds5

About 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene

4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene (PubChem CID 113373738) has the molecular formula C15H14Cl2OS and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene
PubChem CID113373738
Molecular FormulaC15H14Cl2OS
Molecular Weight313.25 g/mol
Exact Mass312.01
IUPAC Name4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CSc1ccc(CCl)cc1
InChIInChI=1S/C15H14Cl2OS/c1-18-15-7-4-13(17)8-12(15)10-19-14-5-2-11(9-16)3-6-14/h2-8H,9-10H2,1H3
InChIKeyOAILFLDOMWNAIV-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.25
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene 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

4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol
CID 60864407
[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65338654
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301933
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
N-[[3-[(3-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methyl]ethanamine
CID 64633313
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
4-chloro-2-[[4-(dimethoxymethyl)phenyl]sulfanylmethyl]-1-fluorobenzene
CID 103050213
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
3-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]aniline
CID 43304660
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
1-[4-methoxy-3-(phenylsulfanylmethyl)phenyl]-N-methylmethanamine
CID 64620569
N-[1-(4-chlorophenyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxybenzamide
CID 133179087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene (CID 113373738) is 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene is COc1ccc(Cl)cc1CSc1ccc(CCl)cc1.
What is the InChIKey of 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene?
The InChIKey is OAILFLDOMWNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2OS/c1-18-15-7-4-13(17)8-12(15)10-19-14-5-2-11(9-16)3-6-14/h2-8H,9-10H2,1H3.
What are the key properties of 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene?
4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene has a molecular weight of 313.25 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene is sourced from PubChem (CID 113373738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).