(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane

C18H17ClO — CID 24774784

IUPAC(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane
SMILESC=C1C[C@@H](c2ccccc2)O[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17ClO/c1-13-11-17(14-5-3-2-4-6-14)20-18(12-13)15-7-9-16(19)10-8-15/h2-10,17-18H,1,11-12H2/t17-,18+/m0/s1
InChIKeyRALGYQVQTJOSES-ZWKOTPCHSA-N
MW284.79 g/mol
LogP5.49
Rot. Bonds2

About (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane

(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane (PubChem CID 24774784) has the molecular formula C18H17ClO and a molecular weight of 284.79 g/mol. Its IUPAC name is (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane.

Molecular Properties

Compound Name(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane
PubChem CID24774784
Molecular FormulaC18H17ClO
Molecular Weight284.79 g/mol
Exact Mass284.10
IUPAC Name(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane
SMILESC=C1C[C@@H](c2ccccc2)O[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17ClO/c1-13-11-17(14-5-3-2-4-6-14)20-18(12-13)15-7-9-16(19)10-8-15/h2-10,17-18H,1,11-12H2/t17-,18+/m0/s1
InChIKeyRALGYQVQTJOSES-ZWKOTPCHSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.49
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

4-methylidene-2-phenyloxolane
CID 11084168
2,6-diphenyloxan-4-one
CID 500287
(1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol
CID 10706498
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
CID 134852396
CID 134852396
(5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole
CID 10704329
4-(4-chlorophenyl)-6-methylidene-1,3-dioxan-2-one
CID 11499565
2,6-diphenylmorpholine
CID 43381979
(2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane
CID 23253730
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
(2S,6S)-2-benzyl-3,4-dimethylidene-6-phenyloxane
CID 139254376
2-phenyloxirane
CID 7276

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane?
The IUPAC name of (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane (CID 24774784) is (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane.
What is the SMILES notation for (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane?
The canonical SMILES for (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane is C=C1C[C@@H](c2ccccc2)O[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane?
The InChIKey is RALGYQVQTJOSES-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H17ClO/c1-13-11-17(14-5-3-2-4-6-14)20-18(12-13)15-7-9-16(19)10-8-15/h2-10,17-18H,1,11-12H2/t17-,18+/m0/s1.
What are the key properties of (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane?
(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane has a molecular weight of 284.79 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane is sourced from PubChem (CID 24774784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).