1-(4-butoxy-3-ethoxyphenyl)butan-1-ol

C16H26O3 — CID 83952160

IUPAC1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
SMILESCCCCOc1ccc(C(O)CCC)cc1OCC
InChIInChI=1S/C16H26O3/c1-4-7-11-19-15-10-9-13(14(17)8-5-2)12-16(15)18-6-3/h9-10,12,14,17H,4-8,11H2,1-3H3
InChIKeyPHIYKOUYIFXNDA-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.10
Rot. Bonds9

About 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol

1-(4-butoxy-3-ethoxyphenyl)butan-1-ol (PubChem CID 83952160) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
PubChem CID83952160
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
SMILESCCCCOc1ccc(C(O)CCC)cc1OCC
InChIInChI=1S/C16H26O3/c1-4-7-11-19-15-10-9-13(14(17)8-5-2)12-16(15)18-6-3/h9-10,12,14,17H,4-8,11H2,1-3H3
InChIKeyPHIYKOUYIFXNDA-UHFFFAOYSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol
CID 82185179
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(2R)-2-amino-2-(4-butoxy-3-ethoxyphenyl)acetic acid
CID 7139571
(2S)-2-azaniumyl-2-(4-butoxy-3-ethoxyphenyl)acetate
CID 7139568
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094403

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol?
The IUPAC name of 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol (CID 83952160) is 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol is CCCCOc1ccc(C(O)CCC)cc1OCC.
What is the InChIKey of 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol?
The InChIKey is PHIYKOUYIFXNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-7-11-19-15-10-9-13(14(17)8-5-2)12-16(15)18-6-3/h9-10,12,14,17H,4-8,11H2,1-3H3.
What are the key properties of 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol?
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-ethoxyphenyl)butan-1-ol is sourced from PubChem (CID 83952160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).