3-phenyl-2-propan-2-yloxolane

C13H18O — CID 157227826

IUPAC3-phenyl-2-propan-2-yloxolane
SMILESCC(C)C1OCCC1c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChIKeyIDNNLWPXSGAJHA-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.22
Rot. Bonds2

About 3-phenyl-2-propan-2-yloxolane

3-phenyl-2-propan-2-yloxolane (PubChem CID 157227826) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-phenyl-2-propan-2-yloxolane.

Molecular Properties

Compound Name3-phenyl-2-propan-2-yloxolane
PubChem CID157227826
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-phenyl-2-propan-2-yloxolane
SMILESCC(C)C1OCCC1c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChIKeyIDNNLWPXSGAJHA-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-2-propan-2-yloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-phenyl-2-propan-2-yloxyoxane
CID 101393454
(2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane
CID 15349176
4-phenyl-2-propan-2-yloxolane-3-carboxylic acid
CID 165476030
(2R,4S)-4-phenyl-2-propan-2-yloxane
CID 118068345
3-phenyloxolane-2-carboxylic acid
CID 122200609
tert-butyl (2S,3S)-3-phenyloxolane-2-carboxylate
CID 11054002
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
3-phenyl-4-propan-2-yloxolane
CID 85213034
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
(3R,4S)-3-phenyl-4-propan-2-yloxolane
CID 10631550
5-[(2S,3R)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851427

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propan-2-yloxolane?
The IUPAC name of 3-phenyl-2-propan-2-yloxolane (CID 157227826) is 3-phenyl-2-propan-2-yloxolane.
What is the SMILES notation for 3-phenyl-2-propan-2-yloxolane?
The canonical SMILES for 3-phenyl-2-propan-2-yloxolane is CC(C)C1OCCC1c1ccccc1.
What is the InChIKey of 3-phenyl-2-propan-2-yloxolane?
The InChIKey is IDNNLWPXSGAJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3.
What are the key properties of 3-phenyl-2-propan-2-yloxolane?
3-phenyl-2-propan-2-yloxolane has a molecular weight of 190.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propan-2-yloxolane is sourced from PubChem (CID 157227826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).