2,4-dimethoxy-6-pentylphenol

C13H20O3 — CID 13197794

IUPAC2,4-dimethoxy-6-pentylphenol
SMILESCCCCCc1cc(OC)cc(OC)c1O
InChIInChI=1S/C13H20O3/c1-4-5-6-7-10-8-11(15-2)9-12(16-3)13(10)14/h8-9,14H,4-7H2,1-3H3
InChIKeySFMILRAEDXJXGI-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.14
Rot. Bonds6

About 2,4-dimethoxy-6-pentylphenol

2,4-dimethoxy-6-pentylphenol (PubChem CID 13197794) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,4-dimethoxy-6-pentylphenol.

Molecular Properties

Compound Name2,4-dimethoxy-6-pentylphenol
PubChem CID13197794
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2,4-dimethoxy-6-pentylphenol
SMILESCCCCCc1cc(OC)cc(OC)c1O
InChIInChI=1S/C13H20O3/c1-4-5-6-7-10-8-11(15-2)9-12(16-3)13(10)14/h8-9,14H,4-7H2,1-3H3
InChIKeySFMILRAEDXJXGI-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

2,4-dimethoxy-6-pentadec-10-enylphenol
CID 78385594
4-bromo-2-hexyl-6-methoxyphenol
CID 20721135
1,5-dimethoxy-2-methylsulfanyl-3-pentylbenzene
CID 156744288
2,4-dimethoxy-6-pentylbenzoic acid
CID 12658769
2,6-dimethoxy-4-pentylphenol
CID 22625510
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-decyl-2,4-dimethoxybenzene
CID 524862
2-heptadecyl-6-methoxyphenol
CID 10713705
2-butyl-N,N-diethyl-4,6-dimethoxybenzamide
CID 86164475
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
CID 20661068

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-pentylphenol?
The IUPAC name of 2,4-dimethoxy-6-pentylphenol (CID 13197794) is 2,4-dimethoxy-6-pentylphenol.
What is the SMILES notation for 2,4-dimethoxy-6-pentylphenol?
The canonical SMILES for 2,4-dimethoxy-6-pentylphenol is CCCCCc1cc(OC)cc(OC)c1O.
What is the InChIKey of 2,4-dimethoxy-6-pentylphenol?
The InChIKey is SFMILRAEDXJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-5-6-7-10-8-11(15-2)9-12(16-3)13(10)14/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-pentylphenol?
2,4-dimethoxy-6-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 2,4-dimethoxy-6-pentylphenol is sourced from PubChem (CID 13197794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).