4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane

C18H19ClO — CID 114826811

IUPAC4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane
SMILESCC1CC(C(Cl)c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C18H19ClO/c1-13-11-17(12-20-13)18(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeyGWHDVOYOUSZETG-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.06
Rot. Bonds3

About 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane

4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane (PubChem CID 114826811) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane.

Molecular Properties

Compound Name4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane
PubChem CID114826811
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane
SMILESCC1CC(C(Cl)c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C18H19ClO/c1-13-11-17(12-20-13)18(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeyGWHDVOYOUSZETG-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.80
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
CID 114826999
1,1'-biphenyl;2-methyloxirane
CID 87315109
4-[1-benzothiophen-3-yl(chloro)methyl]-2-methyloxolane
CID 114826848
7-[chloro-(5-methyloxolan-3-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114826823
2-[chloro-(4-phenylphenyl)methyl]-1,4-dioxane
CID 62804372
(5-methyloxolan-3-yl)-(4-methylphenyl)methanamine
CID 114824909
(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826660
4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane
CID 114822941
1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115794492
N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105052716

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane?
The IUPAC name of 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane (CID 114826811) is 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane.
What is the SMILES notation for 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane?
The canonical SMILES for 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane is CC1CC(C(Cl)c2ccc(-c3ccccc3)cc2)CO1.
What is the InChIKey of 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane?
The InChIKey is GWHDVOYOUSZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-13-11-17(12-20-13)18(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane?
4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane has a molecular weight of 286.80 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane is sourced from PubChem (CID 114826811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).