(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol

C20H28O4 — CID 162240108

IUPAC(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
SMILESC[C@@H](O)COCc1ccccc1.C[C@H](O)COCc1ccccc1
InChIInChI=1S/2C10H14O2/c2*1-9(11)7-12-8-10-5-3-2-4-6-10/h2*2-6,9,11H,7-8H2,1H3/t2*9-/m10/s1
InChIKeyZWOWXYNHOHPMSU-IGXPJQGBSA-N
MW332.44 g/mol
LogP3.17
Rot. Bonds8

About (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol

(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol (PubChem CID 162240108) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
PubChem CID162240108
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
SMILESC[C@@H](O)COCc1ccccc1.C[C@H](O)COCc1ccccc1
InChIInChI=1S/2C10H14O2/c2*1-9(11)7-12-8-10-5-3-2-4-6-10/h2*2-6,9,11H,7-8H2,1H3/t2*9-/m10/s1
InChIKeyZWOWXYNHOHPMSU-IGXPJQGBSA-N
XLogP3.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
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CID 165070743
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
(2S,3S)-4,4-dimethyl-1-phenylmethoxyheptane-2,3,6-triol
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benzyl N-[3-(2-hydroxypropoxymethyl)phenyl]carbamate
CID 101435911

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol (CID 162240108) is (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol is C[C@@H](O)COCc1ccccc1.C[C@H](O)COCc1ccccc1.
What is the InChIKey of (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol?
The InChIKey is ZWOWXYNHOHPMSU-IGXPJQGBSA-N. The full InChI is InChI=1S/2C10H14O2/c2*1-9(11)7-12-8-10-5-3-2-4-6-10/h2*2-6,9,11H,7-8H2,1H3/t2*9-/m10/s1.
What are the key properties of (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol?
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol has a molecular weight of 332.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol is sourced from PubChem (CID 162240108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).