acetic acid;1-phenoxypropan-2-ol

C11H16O4 — CID 68567525

IUPACacetic acid;1-phenoxypropan-2-ol
SMILESCC(=O)O.CC(O)COc1ccccc1
InChIInChI=1S/C9H12O2.C2H4O2/c1-8(10)7-11-9-5-3-2-4-6-9;1-2(3)4/h2-6,8,10H,7H2,1H3;1H3,(H,3,4)
InChIKeyIJMMLESAAHRIPW-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.54
Rot. Bonds3

About acetic acid;1-phenoxypropan-2-ol

acetic acid;1-phenoxypropan-2-ol (PubChem CID 68567525) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is acetic acid;1-phenoxypropan-2-ol.

Molecular Properties

Compound Nameacetic acid;1-phenoxypropan-2-ol
PubChem CID68567525
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Nameacetic acid;1-phenoxypropan-2-ol
SMILESCC(=O)O.CC(O)COc1ccccc1
InChIInChI=1S/C9H12O2.C2H4O2/c1-8(10)7-11-9-5-3-2-4-6-9;1-2(3)4/h2-6,8,10H,7H2,1H3;1H3,(H,3,4)
InChIKeyIJMMLESAAHRIPW-UHFFFAOYSA-N
XLogP1.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-phenoxypropan-2-ol
CID 90926921
benzoic acid;1-phenoxypropan-2-ol
CID 70185912
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
CID 70813597
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
1-ethyl-4-(4-ethylphenyl)benzene;methane;bis(1-phenoxypropan-2-ol)
CID 91213625
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
(4S,5R)-5-hydroxy-2,4-dimethyl-6-phenoxyhexan-3-one
CID 11390719
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-phenoxypropan-2-ol?
The IUPAC name of acetic acid;1-phenoxypropan-2-ol (CID 68567525) is acetic acid;1-phenoxypropan-2-ol.
What is the SMILES notation for acetic acid;1-phenoxypropan-2-ol?
The canonical SMILES for acetic acid;1-phenoxypropan-2-ol is CC(=O)O.CC(O)COc1ccccc1.
What is the InChIKey of acetic acid;1-phenoxypropan-2-ol?
The InChIKey is IJMMLESAAHRIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C2H4O2/c1-8(10)7-11-9-5-3-2-4-6-9;1-2(3)4/h2-6,8,10H,7H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-phenoxypropan-2-ol?
acetic acid;1-phenoxypropan-2-ol has a molecular weight of 212.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-phenoxypropan-2-ol is sourced from PubChem (CID 68567525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).