(3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane

C15H19ClO — CID 177462399

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane
SMILESCCC1(CC)OCC/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO/c1-3-15(4-2)13(9-10-17-15)11-12-5-7-14(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3/b13-11-
InChIKeyLABNJWIWAIPXCR-QBFSEMIESA-N
MW250.77 g/mol
LogP4.70
Rot. Bonds3

About (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane

(3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane (PubChem CID 177462399) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane
PubChem CID177462399
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane
SMILESCCC1(CC)OCC/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO/c1-3-15(4-2)13(9-10-17-15)11-12-5-7-14(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3/b13-11-
InChIKeyLABNJWIWAIPXCR-QBFSEMIESA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z)-3-benzylidene-2,2-dimethyloxolane
CID 177435571
(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 68554310
(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane
CID 11325065
5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 54225475
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol
CID 22642742
ethyl 2-[6-chloro-1-(chloromethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetate
CID 11953352
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 22643038
2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69340184
(2E)-2,5-bis[(4-chlorophenyl)methylidene]cyclopentan-1-one
CID 694487
1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene
CID 143542593
2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
CID 69339698
(2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 10112331

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane (CID 177462399) is (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane is CCC1(CC)OCC/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane?
The InChIKey is LABNJWIWAIPXCR-QBFSEMIESA-N. The full InChI is InChI=1S/C15H19ClO/c1-3-15(4-2)13(9-10-17-15)11-12-5-7-14(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3/b13-11-.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane?
(3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane has a molecular weight of 250.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane is sourced from PubChem (CID 177462399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).