1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene

C17H21ClO — CID 139572157

IUPAC1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene
SMILESC=C(C)OC(=C)C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClO/c1-12(2)19-13(3)14-4-6-15(7-5-14)16-8-10-17(18)11-9-16/h8-11,14-15H,1,3-7H2,2H3
InChIKeyUFEHUSRGICKYTO-UHFFFAOYSA-N
MW276.81 g/mol
LogP5.68
Rot. Bonds4

About 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene

1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene (PubChem CID 139572157) has the molecular formula C17H21ClO and a molecular weight of 276.81 g/mol. Its IUPAC name is 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene
PubChem CID139572157
Molecular FormulaC17H21ClO
Molecular Weight276.81 g/mol
Exact Mass276.13
IUPAC Name1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene
SMILESC=C(C)OC(=C)C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClO/c1-12(2)19-13(3)14-4-6-15(7-5-14)16-8-10-17(18)11-9-16/h8-11,14-15H,1,3-7H2,2H3
InChIKeyUFEHUSRGICKYTO-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene?
The IUPAC name of 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene (CID 139572157) is 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene is C=C(C)OC(=C)C1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene?
The InChIKey is UFEHUSRGICKYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO/c1-12(2)19-13(3)14-4-6-15(7-5-14)16-8-10-17(18)11-9-16/h8-11,14-15H,1,3-7H2,2H3.
What are the key properties of 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene?
1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene has a molecular weight of 276.81 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene is sourced from PubChem (CID 139572157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).