4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol

C20H26O4 — CID 137372095

IUPAC4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol
SMILESCCOc1cc(CCC(C)=O)ccc1O.OCCc1ccccc1
InChIInChI=1S/C12H16O3.C8H10O/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;9-7-6-8-4-2-1-3-5-8/h6-8,14H,3-5H2,1-2H3;1-5,9H,6-7H2
InChIKeyBDMMLNLDPIJZQX-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.53
Rot. Bonds7

About 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol

4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol (PubChem CID 137372095) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol.

Molecular Properties

Compound Name4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol
PubChem CID137372095
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol
SMILESCCOc1cc(CCC(C)=O)ccc1O.OCCc1ccccc1
InChIInChI=1S/C12H16O3.C8H10O/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;9-7-6-8-4-2-1-3-5-8/h6-8,14H,3-5H2,1-2H3;1-5,9H,6-7H2
InChIKeyBDMMLNLDPIJZQX-UHFFFAOYSA-N
XLogP3.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 45094126
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)ethanone
CID 175146958
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol
CID 175307667
4-[2-(3-ethoxy-4-hydroxyphenyl)ethylamino]-4-oxobutanoic acid
CID 9151773
3-(3-ethoxy-4-hydroxyphenyl)-2-oxopropanoic acid
CID 16781603
phenol;4-phenylbutan-2-one
CID 160537429
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
(5R)-5-hydroxy-1-[4-hydroxy-3-(3-phenylpropoxy)phenyl]octan-3-one
CID 163100079
3-[4-[[4-hydroxy-3-(3-phenylpropoxy)phenyl]methyl]phenyl]propanoic acid
CID 174471594
1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol?
The IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol (CID 137372095) is 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol.
What is the SMILES notation for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol?
The canonical SMILES for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol is CCOc1cc(CCC(C)=O)ccc1O.OCCc1ccccc1.
What is the InChIKey of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol?
The InChIKey is BDMMLNLDPIJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.C8H10O/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14;9-7-6-8-4-2-1-3-5-8/h6-8,14H,3-5H2,1-2H3;1-5,9H,6-7H2.
What are the key properties of 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol?
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol has a molecular weight of 330.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;2-phenylethanol is sourced from PubChem (CID 137372095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).