1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol

C16H26O4 — CID 116711202

IUPAC1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
SMILESCCOc1ccc(C(O)C(CC)OCC)cc1OCC
InChIInChI=1S/C16H26O4/c1-5-13(18-6-2)16(17)12-9-10-14(19-7-3)15(11-12)20-8-4/h9-11,13,16-17H,5-8H2,1-4H3
InChIKeyFBTCMYYYFSKTJC-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.33
Rot. Bonds9

About 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol

1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol (PubChem CID 116711202) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
PubChem CID116711202
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
SMILESCCOc1ccc(C(O)C(CC)OCC)cc1OCC
InChIInChI=1S/C16H26O4/c1-5-13(18-6-2)16(17)12-9-10-14(19-7-3)15(11-12)20-8-4/h9-11,13,16-17H,5-8H2,1-4H3
InChIKeyFBTCMYYYFSKTJC-UHFFFAOYSA-N
XLogP3.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol
CID 114194360
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
2-ethoxy-1-(3-ethylphenyl)butan-1-ol
CID 116711098
1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
CID 82315715
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
CID 116715145
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825209

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol (CID 116711202) is 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol is CCOc1ccc(C(O)C(CC)OCC)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol?
The InChIKey is FBTCMYYYFSKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-5-13(18-6-2)16(17)12-9-10-14(19-7-3)15(11-12)20-8-4/h9-11,13,16-17H,5-8H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol?
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol is sourced from PubChem (CID 116711202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).