1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene

C14H13ClOS — CID 19797095

IUPAC1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene
SMILESCSc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClOS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3
InChIKeyAQANKPMAJFDLFD-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.64
Rot. Bonds4

About 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene

1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene (PubChem CID 19797095) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene
PubChem CID19797095
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene
SMILESCSc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClOS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3
InChIKeyAQANKPMAJFDLFD-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

p-Chlorobenzyl phenyl ether
CID 29879
1-chloro-4-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72188760
1-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72193354
Propanoic acid, 2-(4-((4-chlorophenyl)methylthio)phenoxy)-2-methyl-, ethyl ester
CID 3054626
Butanoic acid, 2-(4-(((4-chlorophenyl)methyl)thio)phenoxy)-2-methyl-, ethyl ester, (+-)-
CID 3054627
1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene
CID 14744782
3-(4-Chlorophenoxy)-1-benzothiophene 1-oxide
CID 15959566
1-chloro-3-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 76325477
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-methoxybenzene
CID 76329008
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3-methoxybenzene
CID 76336295
[(E)-2-(2-chlorophenyl)ethenyl]-imino-(4-methoxyphenyl)-oxo-lambda6-sulfane
CID 178309565
S-(4-Chlorophenyl) 3-(4-ethoxyphenyl)-2-propenethioate
CID 678955

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene?
The IUPAC name of 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene (CID 19797095) is 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene is CSc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene?
The InChIKey is AQANKPMAJFDLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3.
What are the key properties of 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene?
1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene has a molecular weight of 264.78 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-methylsulfanylphenoxy)methyl]benzene is sourced from PubChem (CID 19797095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).