2-(ethoxymethyl)-4-phenylbutan-1-ol

C13H20O2 — CID 174416866

IUPAC2-(ethoxymethyl)-4-phenylbutan-1-ol
SMILESCCOCC(CO)CCc1ccccc1
InChIInChI=1S/C13H20O2/c1-2-15-11-13(10-14)9-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyPXTRWPPWBWSYSL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.26
Rot. Bonds7

About 2-(ethoxymethyl)-4-phenylbutan-1-ol

2-(ethoxymethyl)-4-phenylbutan-1-ol (PubChem CID 174416866) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-phenylbutan-1-ol
PubChem CID174416866
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(ethoxymethyl)-4-phenylbutan-1-ol
SMILESCCOCC(CO)CCc1ccccc1
InChIInChI=1S/C13H20O2/c1-2-15-11-13(10-14)9-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyPXTRWPPWBWSYSL-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
2-(ethoxymethyl)-3-(2-methoxyphenyl)propan-1-ol
CID 103985033
2-phenyl-5-(2-phenylethyl)hexane-1,6-diol
CID 70367489
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361817
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
CID 102940890
3,5-diethoxypentylbenzene
CID 156769250
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
ethyl 3-(2-phenylethyl)heptanoate
CID 102077330
[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
CID 139794591
ethane;2-ethoxy-1-phenylethanol;2-methoxyethylbenzene
CID 154661383
3,4-dimethylhexylbenzene
CID 72602417
2-amino-4-phenylbutan-1-ol
CID 159249603

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-phenylbutan-1-ol?
The IUPAC name of 2-(ethoxymethyl)-4-phenylbutan-1-ol (CID 174416866) is 2-(ethoxymethyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 2-(ethoxymethyl)-4-phenylbutan-1-ol?
The canonical SMILES for 2-(ethoxymethyl)-4-phenylbutan-1-ol is CCOCC(CO)CCc1ccccc1.
What is the InChIKey of 2-(ethoxymethyl)-4-phenylbutan-1-ol?
The InChIKey is PXTRWPPWBWSYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-15-11-13(10-14)9-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of 2-(ethoxymethyl)-4-phenylbutan-1-ol?
2-(ethoxymethyl)-4-phenylbutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 174416866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).