4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene

C18H17ClOS — CID 166668898

IUPAC4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene
SMILESCc1ccc2c(c1)CCC=C2S(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H17ClOS/c1-12-6-9-16-14(10-12)4-3-5-18(16)21(20)15-8-7-13(2)17(19)11-15/h5-11H,3-4H2,1-2H3
InChIKeyFAXKDBNTIKEZPH-UHFFFAOYSA-N
MW316.85 g/mol
LogP5.05
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene

4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene (PubChem CID 166668898) has the molecular formula C18H17ClOS and a molecular weight of 316.85 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene
PubChem CID166668898
Molecular FormulaC18H17ClOS
Molecular Weight316.85 g/mol
Exact Mass316.07
IUPAC Name4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene
SMILESCc1ccc2c(c1)CCC=C2S(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H17ClOS/c1-12-6-9-16-14(10-12)4-3-5-18(16)21(20)15-8-7-13(2)17(19)11-15/h5-11H,3-4H2,1-2H3
InChIKeyFAXKDBNTIKEZPH-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.85
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene?
The IUPAC name of 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene (CID 166668898) is 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene is Cc1ccc2c(c1)CCC=C2S(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene?
The InChIKey is FAXKDBNTIKEZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClOS/c1-12-6-9-16-14(10-12)4-3-5-18(16)21(20)15-8-7-13(2)17(19)11-15/h5-11H,3-4H2,1-2H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene?
4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene has a molecular weight of 316.85 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)sulfinyl-7-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 166668898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).