3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol

C17H26O2 — CID 116713603

IUPAC3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
SMILESCCOC(C)(C)C(O)CC1CCCc2ccccc21
InChIInChI=1S/C17H26O2/c1-4-19-17(2,3)16(18)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-6,8,11,14,16,18H,4,7,9-10,12H2,1-3H3
InChIKeyMXXAOVWCWMRYDL-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.67
Rot. Bonds5

About 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol

3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol (PubChem CID 116713603) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
PubChem CID116713603
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
SMILESCCOC(C)(C)C(O)CC1CCCc2ccccc21
InChIInChI=1S/C17H26O2/c1-4-19-17(2,3)16(18)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-6,8,11,14,16,18H,4,7,9-10,12H2,1-3H3
InChIKeyMXXAOVWCWMRYDL-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 79495849
1-cyclopropyl-1-ethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 116712738
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethoxy-3-methylpentan-2-ol
CID 116752273
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
[3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105245335
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 65130800
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
CID 115812436
[3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105222806

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The IUPAC name of 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol (CID 116713603) is 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol.
What is the SMILES notation for 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The canonical SMILES for 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol is CCOC(C)(C)C(O)CC1CCCc2ccccc21.
What is the InChIKey of 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The InChIKey is MXXAOVWCWMRYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-19-17(2,3)16(18)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-6,8,11,14,16,18H,4,7,9-10,12H2,1-3H3.
What are the key properties of 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol has a molecular weight of 262.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol is sourced from PubChem (CID 116713603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).