1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol

C14H22O3 — CID 70065234

IUPAC1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol
SMILESCCOc1cc(OCC)cc(C(O)C(C)C)c1
InChIInChI=1S/C14H22O3/c1-5-16-12-7-11(14(15)10(3)4)8-13(9-12)17-6-2/h7-10,14-15H,5-6H2,1-4H3
InChIKeyZMXCVGQBYKNNRE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.17
Rot. Bonds6

About 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol

1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol (PubChem CID 70065234) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol
PubChem CID70065234
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol
SMILESCCOc1cc(OCC)cc(C(O)C(C)C)c1
InChIInChI=1S/C14H22O3/c1-5-16-12-7-11(14(15)10(3)4)8-13(9-12)17-6-2/h7-10,14-15H,5-6H2,1-4H3
InChIKeyZMXCVGQBYKNNRE-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171367862
(1S)-1-(7-ethoxyquinolin-3-yl)-2-methylpropan-1-ol
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1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol
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1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene
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2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
[3-(diacetyloxymethyl)-5-ethoxyphenyl] acetate
CID 22116393
1-[3-(difluoromethyl)-5-ethoxyphenyl]propan-1-one
CID 118813186
3-ethoxy-5-(3-methylbutan-2-yloxy)aniline
CID 80748959

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol (CID 70065234) is 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol is CCOc1cc(OCC)cc(C(O)C(C)C)c1.
What is the InChIKey of 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is ZMXCVGQBYKNNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-16-12-7-11(14(15)10(3)4)8-13(9-12)17-6-2/h7-10,14-15H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol?
1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 70065234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).