(2S)-2-(3-ethoxyphenyl)pentan-2-ol

C13H20O2 — CID 97048517

IUPAC(2S)-2-(3-ethoxyphenyl)pentan-2-ol
SMILESCCC[C@](C)(O)c1cccc(OCC)c1
InChIInChI=1S/C13H20O2/c1-4-9-13(3,14)11-7-6-8-12(10-11)15-5-2/h6-8,10,14H,4-5,9H2,1-3H3/t13-/m0/s1
InChIKeyXDAZWMVDPMJNAY-ZDUSSCGKSA-N
MW208.30 g/mol
LogP3.09
Rot. Bonds5

About (2S)-2-(3-ethoxyphenyl)pentan-2-ol

(2S)-2-(3-ethoxyphenyl)pentan-2-ol (PubChem CID 97048517) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2S)-2-(3-ethoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-2-(3-ethoxyphenyl)pentan-2-ol
PubChem CID97048517
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2S)-2-(3-ethoxyphenyl)pentan-2-ol
SMILESCCC[C@](C)(O)c1cccc(OCC)c1
InChIInChI=1S/C13H20O2/c1-4-9-13(3,14)11-7-6-8-12(10-11)15-5-2/h6-8,10,14H,4-5,9H2,1-3H3/t13-/m0/s1
InChIKeyXDAZWMVDPMJNAY-ZDUSSCGKSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-ethoxyphenyl)butan-2-ol
CID 97048472
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
CID 58452037
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
(3-ethoxyphenyl)methanetriamine
CID 142802456
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
3-ethoxyphenol;iodoethane
CID 162028202
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethoxyphenyl)pentan-2-ol?
The IUPAC name of (2S)-2-(3-ethoxyphenyl)pentan-2-ol (CID 97048517) is (2S)-2-(3-ethoxyphenyl)pentan-2-ol.
What is the SMILES notation for (2S)-2-(3-ethoxyphenyl)pentan-2-ol?
The canonical SMILES for (2S)-2-(3-ethoxyphenyl)pentan-2-ol is CCC[C@](C)(O)c1cccc(OCC)c1.
What is the InChIKey of (2S)-2-(3-ethoxyphenyl)pentan-2-ol?
The InChIKey is XDAZWMVDPMJNAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-9-13(3,14)11-7-6-8-12(10-11)15-5-2/h6-8,10,14H,4-5,9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(3-ethoxyphenyl)pentan-2-ol?
(2S)-2-(3-ethoxyphenyl)pentan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethoxyphenyl)pentan-2-ol is sourced from PubChem (CID 97048517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).