(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol

C13H20O2 — CID 94601213

IUPAC(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
SMILESCCOc1ccc([C@@](C)(O)C(C)C)cc1
InChIInChI=1S/C13H20O2/c1-5-15-12-8-6-11(7-9-12)13(4,14)10(2)3/h6-10,14H,5H2,1-4H3/t13-/m0/s1
InChIKeyYUORVJGVOTUKKN-ZDUSSCGKSA-N
MW208.30 g/mol
LogP2.95
Rot. Bonds4

About (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol

(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol (PubChem CID 94601213) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
PubChem CID94601213
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
SMILESCCOc1ccc([C@@](C)(O)C(C)C)cc1
InChIInChI=1S/C13H20O2/c1-5-15-12-8-6-11(7-9-12)13(4,14)10(2)3/h6-10,14H,5H2,1-4H3/t13-/m0/s1
InChIKeyYUORVJGVOTUKKN-ZDUSSCGKSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol
CID 70446376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol?
The IUPAC name of (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol (CID 94601213) is (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol?
The canonical SMILES for (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol is CCOc1ccc([C@@](C)(O)C(C)C)cc1.
What is the InChIKey of (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol?
The InChIKey is YUORVJGVOTUKKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-15-12-8-6-11(7-9-12)13(4,14)10(2)3/h6-10,14H,5H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol?
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 94601213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).