(2S)-2-(2-hydroxyethoxy)propan-1-ol

C5H12O3 — CID 87093044

IUPAC(2S)-2-(2-hydroxyethoxy)propan-1-ol
SMILESC[C@@H](CO)OCCO
InChIInChI=1S/C5H12O3/c1-5(4-7)8-3-2-6/h5-7H,2-4H2,1H3/t5-/m0/s1
InChIKeyIBKKDSPQRUFRBM-YFKPBYRVSA-N
MW120.15 g/mol
LogP-0.62
Rot. Bonds4

About (2S)-2-(2-hydroxyethoxy)propan-1-ol

(2S)-2-(2-hydroxyethoxy)propan-1-ol (PubChem CID 87093044) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2S)-2-(2-hydroxyethoxy)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-hydroxyethoxy)propan-1-ol
PubChem CID87093044
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Name(2S)-2-(2-hydroxyethoxy)propan-1-ol
SMILESC[C@@H](CO)OCCO
InChIInChI=1S/C5H12O3/c1-5(4-7)8-3-2-6/h5-7H,2-4H2,1H3/t5-/m0/s1
InChIKeyIBKKDSPQRUFRBM-YFKPBYRVSA-N
XLogP-0.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yloxyethanol;rutherfordium
CID 164705656
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003
2-(1-aminopropan-2-yloxy)ethanol;hydrochloride
CID 86645498
2-(1-hydroperoxypropan-2-yloxy)ethanol
CID 22759520
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
(2R)-2-(3-fluoropropoxy)propan-1-ol
CID 173074713
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
2-pent-4-yn-2-yloxyethanol
CID 130124823
methane;2-octadecoxypropan-1-ol
CID 178185801

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxyethoxy)propan-1-ol?
The IUPAC name of (2S)-2-(2-hydroxyethoxy)propan-1-ol (CID 87093044) is (2S)-2-(2-hydroxyethoxy)propan-1-ol.
What is the SMILES notation for (2S)-2-(2-hydroxyethoxy)propan-1-ol?
The canonical SMILES for (2S)-2-(2-hydroxyethoxy)propan-1-ol is C[C@@H](CO)OCCO.
What is the InChIKey of (2S)-2-(2-hydroxyethoxy)propan-1-ol?
The InChIKey is IBKKDSPQRUFRBM-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12O3/c1-5(4-7)8-3-2-6/h5-7H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxyethoxy)propan-1-ol?
(2S)-2-(2-hydroxyethoxy)propan-1-ol has a molecular weight of 120.15 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxyethoxy)propan-1-ol is sourced from PubChem (CID 87093044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).