3-(2-hydroxypropoxy)-1-phenylbutan-2-ol

C13H20O3 — CID 19968656

IUPAC3-(2-hydroxypropoxy)-1-phenylbutan-2-ol
SMILESCC(O)COC(C)C(O)Cc1ccccc1
InChIInChI=1S/C13H20O3/c1-10(14)9-16-11(2)13(15)8-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3
InChIKeyQVIKDRZNCVZPGG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.38
Rot. Bonds6

About 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol

3-(2-hydroxypropoxy)-1-phenylbutan-2-ol (PubChem CID 19968656) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name3-(2-hydroxypropoxy)-1-phenylbutan-2-ol
PubChem CID19968656
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(2-hydroxypropoxy)-1-phenylbutan-2-ol
SMILESCC(O)COC(C)C(O)Cc1ccccc1
InChIInChI=1S/C13H20O3/c1-10(14)9-16-11(2)13(15)8-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3
InChIKeyQVIKDRZNCVZPGG-UHFFFAOYSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-hydroxypropoxy)-3-phenylpropanoate
CID 176961822
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
1-methoxy-1-(methylamino)-3-phenylpropan-2-ol
CID 155698723
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
oxalic acid;1-phenylpropan-2-ol
CID 162336088
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol?
The IUPAC name of 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol (CID 19968656) is 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol.
What is the SMILES notation for 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol?
The canonical SMILES for 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol is CC(O)COC(C)C(O)Cc1ccccc1.
What is the InChIKey of 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol?
The InChIKey is QVIKDRZNCVZPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10(14)9-16-11(2)13(15)8-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3.
What are the key properties of 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol?
3-(2-hydroxypropoxy)-1-phenylbutan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropoxy)-1-phenylbutan-2-ol is sourced from PubChem (CID 19968656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).