1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol

C16H26O3 — CID 82988193

IUPAC1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H26O3/c1-5-7-12(8-6-2)16(17)14-11-13(18-3)9-10-15(14)19-4/h9-12,16-17H,5-8H2,1-4H3
InChIKeyLFFMFWSWCCIXPS-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.95
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol

1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol (PubChem CID 82988193) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
PubChem CID82988193
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H26O3/c1-5-7-12(8-6-2)16(17)14-11-13(18-3)9-10-15(14)19-4/h9-12,16-17H,5-8H2,1-4H3
InChIKeyLFFMFWSWCCIXPS-UHFFFAOYSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol
CID 82990027
2-(2,5-dimethoxyphenyl)hexan-3-amine
CID 83047231
methyl 2-[(2,5-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62395093
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol (CID 82988193) is 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol is CCCC(CCC)C(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol?
The InChIKey is LFFMFWSWCCIXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-7-12(8-6-2)16(17)14-11-13(18-3)9-10-15(14)19-4/h9-12,16-17H,5-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol?
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol is sourced from PubChem (CID 82988193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).