(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol

C13H20O3 — CID 97048528

IUPAC(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
SMILESCCC[C@@](C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H20O3/c1-5-8-13(2,14)11-7-6-10(15-3)9-12(11)16-4/h6-7,9,14H,5,8H2,1-4H3/t13-/m1/s1
InChIKeyZEBDLIPVROCQKD-CYBMUJFWSA-N
MW224.30 g/mol
LogP2.71
Rot. Bonds5

About (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol

(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol (PubChem CID 97048528) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
PubChem CID97048528
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
SMILESCCC[C@@](C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H20O3/c1-5-8-13(2,14)11-7-6-10(15-3)9-12(11)16-4/h6-7,9,14H,5,8H2,1-4H3/t13-/m1/s1
InChIKeyZEBDLIPVROCQKD-CYBMUJFWSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
CID 66322325
2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62774366
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
2-[1-(2,4-dimethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83042755
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81023243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol?
The IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol (CID 97048528) is (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol.
What is the SMILES notation for (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol?
The canonical SMILES for (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol is CCC[C@@](C)(O)c1ccc(OC)cc1OC.
What is the InChIKey of (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol?
The InChIKey is ZEBDLIPVROCQKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20O3/c1-5-8-13(2,14)11-7-6-10(15-3)9-12(11)16-4/h6-7,9,14H,5,8H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol?
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol is sourced from PubChem (CID 97048528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).