2,6-dimethoxy-4-pentylphenol

C13H20O3 — CID 22625510

IUPAC2,6-dimethoxy-4-pentylphenol
SMILESCCCCCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C13H20O3/c1-4-5-6-7-10-8-11(15-2)13(14)12(9-10)16-3/h8-9,14H,4-7H2,1-3H3
InChIKeyNGBVJZPPPXMNER-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.14
Rot. Bonds6

About 2,6-dimethoxy-4-pentylphenol

2,6-dimethoxy-4-pentylphenol (PubChem CID 22625510) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,6-dimethoxy-4-pentylphenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-pentylphenol
PubChem CID22625510
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2,6-dimethoxy-4-pentylphenol
SMILESCCCCCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C13H20O3/c1-4-5-6-7-10-8-11(15-2)13(14)12(9-10)16-3/h8-9,14H,4-7H2,1-3H3
InChIKeyNGBVJZPPPXMNER-UHFFFAOYSA-N
XLogP3.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
4-(3-bromopropyl)-2,6-dimethoxyphenol
CID 53434534
2-bromo-1,3-dimethoxy-5-pentylbenzene
CID 14964361
3-methoxy-2-pentyl-5-propylphenol
CID 134929797
CID 66930918
CID 66930918
2-(3,4-dimethoxyphenyl)-1,3-dimethoxy-5-pentylbenzene
CID 178159435
2,6-dimethyl-4-pentylphenol
CID 22625507
2,4-dimethoxy-6-pentylphenol
CID 13197794
2,6-dimethyl-4-octadecylphenol
CID 66619575
5-hexylbenzene-1,2,3-triol
CID 54026211
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-pentylphenol?
The IUPAC name of 2,6-dimethoxy-4-pentylphenol (CID 22625510) is 2,6-dimethoxy-4-pentylphenol.
What is the SMILES notation for 2,6-dimethoxy-4-pentylphenol?
The canonical SMILES for 2,6-dimethoxy-4-pentylphenol is CCCCCc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 2,6-dimethoxy-4-pentylphenol?
The InChIKey is NGBVJZPPPXMNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-5-6-7-10-8-11(15-2)13(14)12(9-10)16-3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-pentylphenol?
2,6-dimethoxy-4-pentylphenol has a molecular weight of 224.30 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-pentylphenol is sourced from PubChem (CID 22625510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).