ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene

C23H38O3 — CID 154661383

IUPACethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene
SMILESCC.CC.CCOCC(O)c1ccccc1.COCCc1ccccc1
InChIInChI=1S/C10H14O2.C9H12O.2C2H6/c1-2-12-8-10(11)9-6-4-3-5-7-9;1-10-8-7-9-5-3-2-4-6-9;2*1-2/h3-7,10-11H,2,8H2,1H3;2-6H,7-8H2,1H3;2*1-2H3
InChIKeyLJPZXAJVBHUYFN-UHFFFAOYSA-N
MW362.55 g/mol
LogP5.68
Rot. Bonds7

About ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene

ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene (PubChem CID 154661383) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene.

Molecular Properties

Compound Nameethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene
PubChem CID154661383
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Nameethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene
SMILESCC.CC.CCOCC(O)c1ccccc1.COCCc1ccccc1
InChIInChI=1S/C10H14O2.C9H12O.2C2H6/c1-2-12-8-10(11)9-6-4-3-5-7-9;1-10-8-7-9-5-3-2-4-6-9;2*1-2/h3-7,10-11H,2,8H2,1H3;2-6H,7-8H2,1H3;2*1-2H3
InChIKeyLJPZXAJVBHUYFN-UHFFFAOYSA-N
XLogP5.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
benzene;2-methoxy-1-phenylethanol
CID 174622919
2-methoxyethylbenzene
CID 19089
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701
1-[4-(2-methoxyethyl)phenyl]-2-phenylbutan-1-ol
CID 61099739
2-[1-[4-(3-ethoxypropyl)phenyl]propan-2-yloxy]-1-phenylethanol
CID 166765433
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
2-(ethoxymethyl)-4-phenylbutan-1-ol
CID 174416866

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene?
The IUPAC name of ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene (CID 154661383) is ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene.
What is the SMILES notation for ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene?
The canonical SMILES for ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene is CC.CC.CCOCC(O)c1ccccc1.COCCc1ccccc1.
What is the InChIKey of ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene?
The InChIKey is LJPZXAJVBHUYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C9H12O.2C2H6/c1-2-12-8-10(11)9-6-4-3-5-7-9;1-10-8-7-9-5-3-2-4-6-9;2*1-2/h3-7,10-11H,2,8H2,1H3;2-6H,7-8H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene?
ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene has a molecular weight of 362.55 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene is sourced from PubChem (CID 154661383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).