1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene

C15H17ClOS — CID 11196761

IUPAC1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene
SMILESC=C1CCC(=C(Cl)S(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H17ClOS/c1-11-3-7-13(8-4-11)15(16)18(17)14-9-5-12(2)6-10-14/h5-6,9-10H,1,3-4,7-8H2,2H3
InChIKeyKGVLZGVCOOROLG-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.68
Rot. Bonds2

About 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene

1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene (PubChem CID 11196761) has the molecular formula C15H17ClOS and a molecular weight of 280.82 g/mol. Its IUPAC name is 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene.

Molecular Properties

Compound Name1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene
PubChem CID11196761
Molecular FormulaC15H17ClOS
Molecular Weight280.82 g/mol
Exact Mass280.07
IUPAC Name1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene
SMILESC=C1CCC(=C(Cl)S(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H17ClOS/c1-11-3-7-13(8-4-11)15(16)18(17)14-9-5-12(2)6-10-14/h5-6,9-10H,1,3-4,7-8H2,2H3
InChIKeyKGVLZGVCOOROLG-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-fluoroethenylsulfinyl)-4-methylbenzene
CID 643270
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
1-[(1Z)-1-chloro-2-methylbuta-1,3-dienyl]sulfinyl-4-methylbenzene
CID 101380718
1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene
CID 101495794
1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane
CID 144971692
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
2-[(E)-2-chloro-2-(4-methylphenyl)sulfinylethenyl]thiophene
CID 102532992
2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene
CID 11033348
1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10585341
1-[(S)-[(Z)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10561226
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
2-[(Z)-2-chloro-2-(4-methylphenyl)sulfinylethenyl]furan
CID 102382887

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene?
The IUPAC name of 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene (CID 11196761) is 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene.
What is the SMILES notation for 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene?
The canonical SMILES for 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene is C=C1CCC(=C(Cl)S(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene?
The InChIKey is KGVLZGVCOOROLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClOS/c1-11-3-7-13(8-4-11)15(16)18(17)14-9-5-12(2)6-10-14/h5-6,9-10H,1,3-4,7-8H2,2H3.
What are the key properties of 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene?
1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene has a molecular weight of 280.82 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-methylidenecyclohexylidene)methyl]sulfinyl-4-methylbenzene is sourced from PubChem (CID 11196761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).