2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol

C17H28O4 — CID 82990027

IUPAC2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol
SMILESCCCC(CCC)C(O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C17H28O4/c1-6-8-12(9-7-2)17(18)16-14(20-4)10-13(19-3)11-15(16)21-5/h10-12,17-18H,6-9H2,1-5H3
InChIKeyMFZDZVZWZGSKKY-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.96
Rot. Bonds9

About 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol

2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol (PubChem CID 82990027) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol
PubChem CID82990027
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol
SMILESCCCC(CCC)C(O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C17H28O4/c1-6-8-12(9-7-2)17(18)16-14(20-4)10-13(19-3)11-15(16)21-5/h10-12,17-18H,6-9H2,1-5H3
InChIKeyMFZDZVZWZGSKKY-UHFFFAOYSA-N
XLogP3.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromo-2-propylpentyl)-1,3,5-trimethoxybenzene
CID 82990059
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate
CID 79369051
2-(1-bromooctyl)-1,3,5-trimethoxybenzene
CID 63438336
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)propan-1-ol
CID 82758458
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
CID 170819085
4-[(1R,2S)-1-amino-2-hydroxypentyl]-3,5-dimethoxyphenol
CID 171263078
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol
CID 171267047
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol?
The IUPAC name of 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol (CID 82990027) is 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol?
The canonical SMILES for 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol is CCCC(CCC)C(O)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol?
The InChIKey is MFZDZVZWZGSKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-6-8-12(9-7-2)17(18)16-14(20-4)10-13(19-3)11-15(16)21-5/h10-12,17-18H,6-9H2,1-5H3.
What are the key properties of 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol?
2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol is sourced from PubChem (CID 82990027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).