2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol

C12H18O3 — CID 165127908

IUPAC2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
SMILESC[C@@H](COCc1ccccc1)OCCO
InChIInChI=1S/C12H18O3/c1-11(15-8-7-13)9-14-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m0/s1
InChIKeyBWSAHSFWUNGMPL-NSHDSACASA-N
MW210.27 g/mol
LogP1.60
Rot. Bonds7

About 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol

2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol (PubChem CID 165127908) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
PubChem CID165127908
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
SMILESC[C@@H](COCc1ccccc1)OCCO
InChIInChI=1S/C12H18O3/c1-11(15-8-7-13)9-14-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m0/s1
InChIKeyBWSAHSFWUNGMPL-NSHDSACASA-N
XLogP1.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
CID 165127781
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-(4-methyl-5-phenylmethoxypent-2-ynoxy)ethanol
CID 71446241
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
(2R,3S)-3-(3-hydroxypropoxy)-1,4-bis(phenylmethoxy)butan-2-ol
CID 121493935
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol?
The IUPAC name of 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol (CID 165127908) is 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol.
What is the SMILES notation for 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol?
The canonical SMILES for 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol is C[C@@H](COCc1ccccc1)OCCO.
What is the InChIKey of 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol?
The InChIKey is BWSAHSFWUNGMPL-NSHDSACASA-N. The full InChI is InChI=1S/C12H18O3/c1-11(15-8-7-13)9-14-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol?
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol has a molecular weight of 210.27 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol is sourced from PubChem (CID 165127908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).