4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one

C15H16O3S — CID 141356895

IUPAC4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one
SMILESO=c1occ(C2(Sc3ccccc3)CCCCC2)o1
InChIInChI=1S/C15H16O3S/c16-14-17-11-13(18-14)15(9-5-2-6-10-15)19-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyLXZDGAVUDFJGPQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.18
Rot. Bonds3

About 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one

4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one (PubChem CID 141356895) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one
PubChem CID141356895
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one
SMILESO=c1occ(C2(Sc3ccccc3)CCCCC2)o1
InChIInChI=1S/C15H16O3S/c16-14-17-11-13(18-14)15(9-5-2-6-10-15)19-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyLXZDGAVUDFJGPQ-UHFFFAOYSA-N
XLogP4.18
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Phenylsulfanylcyclohexyl)-1,3-dioxan-2-one
CID 11335332
4-(1-Phenylsulfanylcyclohexyl)-1,3-dioxolan-2-one
CID 11425929
5,5-Dimethyl-4-(1-phenylsulfanylcyclohexyl)-1,3-dioxan-2-one
CID 101257214
4-(1-Phenylsulfanylcyclohexyl)-1,3-dioxepan-2-one
CID 101257215
4-(1-Phenylsulfanylcyclohexyl)-1,3-dioxepane
CID 142730667
8-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 167321807
7-(Phenylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 10869155
(5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene
CID 10901928
(5R)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene
CID 11119414
5-Phenylsulfanyl-1,3-dioxaspiro[5.5]undecan-2-one
CID 11231272
4-(Phenylsulfanylmethyl)-1,3-dioxaspiro[4.5]decan-2-one
CID 11737529
4-Butyl-4-phenylsulfanyl-2,3-dihydropyran
CID 24741288

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one (CID 141356895) is 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one is O=c1occ(C2(Sc3ccccc3)CCCCC2)o1.
What is the InChIKey of 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one?
The InChIKey is LXZDGAVUDFJGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c16-14-17-11-13(18-14)15(9-5-2-6-10-15)19-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one?
4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one has a molecular weight of 276.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylsulfanylcyclohexyl)-1,3-dioxol-2-one is sourced from PubChem (CID 141356895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).