1-ethoxypropan-2-ol;1-phenoxypropan-2-ol

C14H24O4 — CID 70813597

IUPAC1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
SMILESCC(O)COc1ccccc1.CCOCC(C)O
InChIInChI=1S/C9H12O2.C5H12O2/c1-8(10)7-11-9-5-3-2-4-6-9;1-3-7-4-5(2)6/h2-6,8,10H,7H2,1H3;5-6H,3-4H2,1-2H3
InChIKeyRINFGDDRBXKPEG-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.85
Rot. Bonds6

About 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol

1-ethoxypropan-2-ol;1-phenoxypropan-2-ol (PubChem CID 70813597) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
PubChem CID70813597
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
SMILESCC(O)COc1ccccc1.CCOCC(C)O
InChIInChI=1S/C9H12O2.C5H12O2/c1-8(10)7-11-9-5-3-2-4-6-9;1-3-7-4-5(2)6/h2-6,8,10H,7H2,1H3;5-6H,3-4H2,1-2H3
InChIKeyRINFGDDRBXKPEG-UHFFFAOYSA-N
XLogP1.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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benzoic acid;1-phenoxypropan-2-ol
CID 70185912
1-ethyl-4-(4-ethylphenyl)benzene;methane;bis(1-phenoxypropan-2-ol)
CID 91213625
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
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(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
ethoxybenzene;ethoxyethane
CID 67764259
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
ethane-1,2-diol;ethoxyethane;phenoxybenzene;propane-1,2-diol
CID 68791308

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol?
The IUPAC name of 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol (CID 70813597) is 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol.
What is the SMILES notation for 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol?
The canonical SMILES for 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol is CC(O)COc1ccccc1.CCOCC(C)O.
What is the InChIKey of 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol?
The InChIKey is RINFGDDRBXKPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C5H12O2/c1-8(10)7-11-9-5-3-2-4-6-9;1-3-7-4-5(2)6/h2-6,8,10H,7H2,1H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol?
1-ethoxypropan-2-ol;1-phenoxypropan-2-ol has a molecular weight of 256.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-ol;1-phenoxypropan-2-ol is sourced from PubChem (CID 70813597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).