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

C21H28O3 — CID 82185179

IUPAC3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol
SMILESCCCCOc1ccc(CCC(O)c2ccccc2)cc1OCC
InChIInChI=1S/C21H28O3/c1-3-5-15-24-20-14-12-17(16-21(20)23-4-2)11-13-19(22)18-9-7-6-8-10-18/h6-10,12,14,16,19,22H,3-5,11,13,15H2,1-2H3
InChIKeyOFQVZVLYMNWCHW-UHFFFAOYSA-N
MW328.45 g/mol
LogP4.93
Rot. Bonds10

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

3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol (PubChem CID 82185179) has the molecular formula C21H28O3 and a molecular weight of 328.45 g/mol. Its IUPAC name is 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol
PubChem CID82185179
Molecular FormulaC21H28O3
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol
SMILESCCCCOc1ccc(CCC(O)c2ccccc2)cc1OCC
InChIInChI=1S/C21H28O3/c1-3-5-15-24-20-14-12-17(16-21(20)23-4-2)11-13-19(22)18-9-7-6-8-10-18/h6-10,12,14,16,19,22H,3-5,11,13,15H2,1-2H3
InChIKeyOFQVZVLYMNWCHW-UHFFFAOYSA-N
XLogP4.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.93
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-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
3-(3-ethoxy-4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185656
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
4-amino-1-(3,4-diethoxyphenyl)heptan-3-ol
CID 83923629
1,2-diethoxy-4-propylbenzene
CID 3995471
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953
(1S)-1-phenylpentan-1-ol
CID 6992754
3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185290
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol (CID 82185179) is 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol is CCCCOc1ccc(CCC(O)c2ccccc2)cc1OCC.
What is the InChIKey of 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol?
The InChIKey is OFQVZVLYMNWCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3/c1-3-5-15-24-20-14-12-17(16-21(20)23-4-2)11-13-19(22)18-9-7-6-8-10-18/h6-10,12,14,16,19,22H,3-5,11,13,15H2,1-2H3.
What are the key properties of 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol?
3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol has a molecular weight of 328.45 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 82185179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).