3-(1-phenylpropoxy)propane-1,2-diol

C12H18O3 — CID 134964704

IUPAC3-(1-phenylpropoxy)propane-1,2-diol
SMILESCCC(OCC(O)CO)c1ccccc1
InChIInChI=1S/C12H18O3/c1-2-12(15-9-11(14)8-13)10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3
InChIKeyYWRFUMKXCVSRQQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.51
Rot. Bonds6

About 3-(1-phenylpropoxy)propane-1,2-diol

3-(1-phenylpropoxy)propane-1,2-diol (PubChem CID 134964704) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(1-phenylpropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-phenylpropoxy)propane-1,2-diol
PubChem CID134964704
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(1-phenylpropoxy)propane-1,2-diol
SMILESCCC(OCC(O)CO)c1ccccc1
InChIInChI=1S/C12H18O3/c1-2-12(15-9-11(14)8-13)10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3
InChIKeyYWRFUMKXCVSRQQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylbutoxy)propane-1,2-diol
CID 175154206
1-(1-phenylpropoxy)ethane-1,2-diol
CID 68934607
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
CID 138958903
(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
CID 124814286
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
CID 7025229
1-pentoxypropylbenzene
CID 57033372
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
1-(1-phenylpropoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960962
3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol
CID 23498170
ethyl 1-[(2S)-2-hydroxy-3-[(1S)-1-phenylpropoxy]propyl]piperidine-4-carboxylate
CID 7025209
(2R)-2-methoxy-2-phenylethanol
CID 6950345

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpropoxy)propane-1,2-diol?
The IUPAC name of 3-(1-phenylpropoxy)propane-1,2-diol (CID 134964704) is 3-(1-phenylpropoxy)propane-1,2-diol.
What is the SMILES notation for 3-(1-phenylpropoxy)propane-1,2-diol?
The canonical SMILES for 3-(1-phenylpropoxy)propane-1,2-diol is CCC(OCC(O)CO)c1ccccc1.
What is the InChIKey of 3-(1-phenylpropoxy)propane-1,2-diol?
The InChIKey is YWRFUMKXCVSRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-12(15-9-11(14)8-13)10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3.
What are the key properties of 3-(1-phenylpropoxy)propane-1,2-diol?
3-(1-phenylpropoxy)propane-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpropoxy)propane-1,2-diol is sourced from PubChem (CID 134964704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).