2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane

C19H24Cl2O2 — CID 19019237

IUPAC2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane
SMILESC/C=C/C1CCC(C2COC(c3ccc(Cl)c(Cl)c3)OC2)CC1
InChIInChI=1S/C19H24Cl2O2/c1-2-3-13-4-6-14(7-5-13)16-11-22-19(23-12-16)15-8-9-17(20)18(21)10-15/h2-3,8-10,13-14,16,19H,4-7,11-12H2,1H3/b3-2+
InChIKeyKTTFTBZFAPIGSE-NSCUHMNNSA-N
MW355.31 g/mol
LogP6.04
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane

2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane (PubChem CID 19019237) has the molecular formula C19H24Cl2O2 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane
PubChem CID19019237
Molecular FormulaC19H24Cl2O2
Molecular Weight355.31 g/mol
Exact Mass354.12
IUPAC Name2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane
SMILESC/C=C/C1CCC(C2COC(c3ccc(Cl)c(Cl)c3)OC2)CC1
InChIInChI=1S/C19H24Cl2O2/c1-2-3-13-4-6-14(7-5-13)16-11-22-19(23-12-16)15-8-9-17(20)18(21)10-15/h2-3,8-10,13-14,16,19H,4-7,11-12H2,1H3/b3-2+
InChIKeyKTTFTBZFAPIGSE-NSCUHMNNSA-N
XLogP6.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.31
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Orthobenzoic acid, p-chloro-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol
CID 175718
Orthobenzoic acid, 3,4-dichloro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
CID 175742
Orthobenzoic acid, 3,4-dichloro-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol
CID 175743
3,9-Bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 3661142
1-Chloro-4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]benzene
CID 25215632
2-(3,4-Dichlorophenyl)-1,3-dioxolane
CID 57308617
(2S,4aR,8R,8aR)-2-(3,4-dichlorophenyl)-4,4,7-trimethyl-4a,5,8,8a-tetrahydro-1,3-benzodioxin-8-ol
CID 73347755
2-(4-chloro-3-fluorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane
CID 19019222
2-[4-(4-chloro-3-fluorophenyl)phenyl]-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 19019233
2-(4-Chloro-3-fluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-dioxane
CID 19019249
2-[4-(4-chloro-3-fluorophenyl)phenyl]-5-[(E)-prop-1-enyl]-1,3-dioxane
CID 19019256
5-Butyl-2-[2-(4-chloro-3-fluorophenyl)-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876798

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane (CID 19019237) is 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane is C/C=C/C1CCC(C2COC(c3ccc(Cl)c(Cl)c3)OC2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane?
The InChIKey is KTTFTBZFAPIGSE-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H24Cl2O2/c1-2-3-13-4-6-14(7-5-13)16-11-22-19(23-12-16)15-8-9-17(20)18(21)10-15/h2-3,8-10,13-14,16,19H,4-7,11-12H2,1H3/b3-2+.
What are the key properties of 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane?
2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane has a molecular weight of 355.31 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 19019237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).