(2R)-2-(3-ethoxyphenyl)butan-2-ol

C12H18O2 — CID 97048472

IUPAC(2R)-2-(3-ethoxyphenyl)butan-2-ol
SMILESCCOc1cccc([C@](C)(O)CC)c1
InChIInChI=1S/C12H18O2/c1-4-12(3,13)10-7-6-8-11(9-10)14-5-2/h6-9,13H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyGXGPPQZIJQMVPE-GFCCVEGCSA-N
MW194.27 g/mol
LogP2.70
Rot. Bonds4

About (2R)-2-(3-ethoxyphenyl)butan-2-ol

(2R)-2-(3-ethoxyphenyl)butan-2-ol (PubChem CID 97048472) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R)-2-(3-ethoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-2-(3-ethoxyphenyl)butan-2-ol
PubChem CID97048472
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R)-2-(3-ethoxyphenyl)butan-2-ol
SMILESCCOc1cccc([C@](C)(O)CC)c1
InChIInChI=1S/C12H18O2/c1-4-12(3,13)10-7-6-8-11(9-10)14-5-2/h6-9,13H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyGXGPPQZIJQMVPE-GFCCVEGCSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
CID 58452037
2-(3-tert-butylphenyl)butan-2-ol
CID 91655645
(3-ethoxyphenyl)methanetriamine
CID 142802456
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
CID 140570358
1-(3-ethoxyphenyl)-1-(3-fluorophenyl)propan-1-amine
CID 114872809
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
3-ethoxyphenol;iodoethane
CID 162028202

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethoxyphenyl)butan-2-ol?
The IUPAC name of (2R)-2-(3-ethoxyphenyl)butan-2-ol (CID 97048472) is (2R)-2-(3-ethoxyphenyl)butan-2-ol.
What is the SMILES notation for (2R)-2-(3-ethoxyphenyl)butan-2-ol?
The canonical SMILES for (2R)-2-(3-ethoxyphenyl)butan-2-ol is CCOc1cccc([C@](C)(O)CC)c1.
What is the InChIKey of (2R)-2-(3-ethoxyphenyl)butan-2-ol?
The InChIKey is GXGPPQZIJQMVPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-12(3,13)10-7-6-8-11(9-10)14-5-2/h6-9,13H,4-5H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-(3-ethoxyphenyl)butan-2-ol?
(2R)-2-(3-ethoxyphenyl)butan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethoxyphenyl)butan-2-ol is sourced from PubChem (CID 97048472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).