(2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol

C13H20O2 — CID 155971150

IUPAC(2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol
SMILESCC(C)(C)O[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20O2/c1-13(2,3)15-12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyPSBWVYQNBWAXEW-GFCCVEGCSA-N
MW208.30 g/mol
LogP2.41
Rot. Bonds4

About (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol

(2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol (PubChem CID 155971150) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol
PubChem CID155971150
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol
SMILESCC(C)(C)O[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20O2/c1-13(2,3)15-12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyPSBWVYQNBWAXEW-GFCCVEGCSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol (CID 155971150) is (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol is CC(C)(C)O[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol?
The InChIKey is PSBWVYQNBWAXEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2,3)15-12(10-14)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol?
(2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-1-ol is sourced from PubChem (CID 155971150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).