1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene

C18H18Cl2O2S — CID 70657654

IUPAC1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene
SMILESC=C(COc1ccc(Cl)c(Cl)c1)CSc1ccc(OC)c(C)c1
InChIInChI=1S/C18H18Cl2O2S/c1-12(10-22-14-4-6-16(19)17(20)9-14)11-23-15-5-7-18(21-3)13(2)8-15/h4-9H,1,10-11H2,2-3H3
InChIKeyQZPKEBIQCSNTCV-UHFFFAOYSA-N
MW369.31 g/mol
LogP6.04
Rot. Bonds7

About 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene

1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene (PubChem CID 70657654) has the molecular formula C18H18Cl2O2S and a molecular weight of 369.31 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene
PubChem CID70657654
Molecular FormulaC18H18Cl2O2S
Molecular Weight369.31 g/mol
Exact Mass368.04
IUPAC Name1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene
SMILESC=C(COc1ccc(Cl)c(Cl)c1)CSc1ccc(OC)c(C)c1
InChIInChI=1S/C18H18Cl2O2S/c1-12(10-22-14-4-6-16(19)17(20)9-14)11-23-15-5-7-18(21-3)13(2)8-15/h4-9H,1,10-11H2,2-3H3
InChIKeyQZPKEBIQCSNTCV-UHFFFAOYSA-N
XLogP6.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.31
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene?
The IUPAC name of 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene (CID 70657654) is 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene is C=C(COc1ccc(Cl)c(Cl)c1)CSc1ccc(OC)c(C)c1.
What is the InChIKey of 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene?
The InChIKey is QZPKEBIQCSNTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O2S/c1-12(10-22-14-4-6-16(19)17(20)9-14)11-23-15-5-7-18(21-3)13(2)8-15/h4-9H,1,10-11H2,2-3H3.
What are the key properties of 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene?
1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene has a molecular weight of 369.31 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene is sourced from PubChem (CID 70657654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).