(2R,4S)-4-phenyl-2-propan-2-yloxane

C14H20O — CID 118068345

IUPAC(2R,4S)-4-phenyl-2-propan-2-yloxane
SMILESCC(C)[C@H]1C[C@@H](c2ccccc2)CCO1
InChIInChI=1S/C14H20O/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyQHKUPIZMWRGKMW-UONOGXRCSA-N
MW204.31 g/mol
LogP3.61
Rot. Bonds2

About (2R,4S)-4-phenyl-2-propan-2-yloxane

(2R,4S)-4-phenyl-2-propan-2-yloxane (PubChem CID 118068345) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2R,4S)-4-phenyl-2-propan-2-yloxane.

Molecular Properties

Compound Name(2R,4S)-4-phenyl-2-propan-2-yloxane
PubChem CID118068345
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2R,4S)-4-phenyl-2-propan-2-yloxane
SMILESCC(C)[C@H]1C[C@@H](c2ccccc2)CCO1
InChIInChI=1S/C14H20O/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyQHKUPIZMWRGKMW-UONOGXRCSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632276
3-phenyl-2-propan-2-yloxolane
CID 157227826
2-(N-(2-propan-2-yloxan-4-yl)anilino)acetic acid
CID 65059336
N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81374208
(2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone
CID 928481
2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide
CID 122159167
4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde
CID 76543536
2-methylpropane;4-methyl-2-propan-2-yloxane
CID 145025500
(3R)-3-phenyloxolane
CID 92859476
benzene;cyclopropylbenzene
CID 144638417
(2R,4S)-2-benzhydryloxan-4-ol
CID 11565243
N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 115889451

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-phenyl-2-propan-2-yloxane?
The IUPAC name of (2R,4S)-4-phenyl-2-propan-2-yloxane (CID 118068345) is (2R,4S)-4-phenyl-2-propan-2-yloxane.
What is the SMILES notation for (2R,4S)-4-phenyl-2-propan-2-yloxane?
The canonical SMILES for (2R,4S)-4-phenyl-2-propan-2-yloxane is CC(C)[C@H]1C[C@@H](c2ccccc2)CCO1.
What is the InChIKey of (2R,4S)-4-phenyl-2-propan-2-yloxane?
The InChIKey is QHKUPIZMWRGKMW-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (2R,4S)-4-phenyl-2-propan-2-yloxane?
(2R,4S)-4-phenyl-2-propan-2-yloxane has a molecular weight of 204.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-phenyl-2-propan-2-yloxane is sourced from PubChem (CID 118068345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).