3-(2,4-dimethoxyphenyl)pentan-3-ol

C13H20O3 — CID 62801128

IUPAC3-(2,4-dimethoxyphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(OC)cc1OC
InChIInChI=1S/C13H20O3/c1-5-13(14,6-2)11-8-7-10(15-3)9-12(11)16-4/h7-9,14H,5-6H2,1-4H3
InChIKeyRGVTUMJWPZKDLD-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.71
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)pentan-3-ol

3-(2,4-dimethoxyphenyl)pentan-3-ol (PubChem CID 62801128) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)pentan-3-ol
PubChem CID62801128
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(2,4-dimethoxyphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(OC)cc1OC
InChIInChI=1S/C13H20O3/c1-5-13(14,6-2)11-8-7-10(15-3)9-12(11)16-4/h7-9,14H,5-6H2,1-4H3
InChIKeyRGVTUMJWPZKDLD-UHFFFAOYSA-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

(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
3-(2-bromo-5-methoxyphenyl)pentan-3-ol
CID 72942483
3-(2-amino-5-methoxyphenyl)pentan-3-ol
CID 67269604
2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62774366
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
CID 63082925

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)pentan-3-ol?
The IUPAC name of 3-(2,4-dimethoxyphenyl)pentan-3-ol (CID 62801128) is 3-(2,4-dimethoxyphenyl)pentan-3-ol.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)pentan-3-ol?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)pentan-3-ol is CCC(O)(CC)c1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)pentan-3-ol?
The InChIKey is RGVTUMJWPZKDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-5-13(14,6-2)11-8-7-10(15-3)9-12(11)16-4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)pentan-3-ol?
3-(2,4-dimethoxyphenyl)pentan-3-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 3-(2,4-dimethoxyphenyl)pentan-3-ol is sourced from PubChem (CID 62801128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).