2-ethyl-3-methoxy-5-pentylphenol

C14H22O2 — CID 123850544

IUPAC2-ethyl-3-methoxy-5-pentylphenol
SMILESCCCCCc1cc(O)c(CC)c(OC)c1
InChIInChI=1S/C14H22O2/c1-4-6-7-8-11-9-13(15)12(5-2)14(10-11)16-3/h9-10,15H,4-8H2,1-3H3
InChIKeyGUHRMLMXHNZNRT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.70
Rot. Bonds6

About 2-ethyl-3-methoxy-5-pentylphenol

2-ethyl-3-methoxy-5-pentylphenol (PubChem CID 123850544) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-5-pentylphenol.

Molecular Properties

Compound Name2-ethyl-3-methoxy-5-pentylphenol
PubChem CID123850544
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-ethyl-3-methoxy-5-pentylphenol
SMILESCCCCCc1cc(O)c(CC)c(OC)c1
InChIInChI=1S/C14H22O2/c1-4-6-7-8-11-9-13(15)12(5-2)14(10-11)16-3/h9-10,15H,4-8H2,1-3H3
InChIKeyGUHRMLMXHNZNRT-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-pentyl-5-propylphenol
CID 134929797
2,6-dimethoxy-4-pentylphenol
CID 22625510
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
2-bromo-1,3-dimethoxy-5-pentylbenzene
CID 14964361
3-butoxy-2,5-diethylphenol
CID 139788142
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
(2-butyl-3-hydroxy-5-pentylphenyl) hydrogen sulfate
CID 132558505
5-hexylbenzene-1,2,3-triol
CID 54026211
4-butyl-5-methoxy-2-methylbenzene-1,3-diol
CID 143238612
CID 66930918
CID 66930918

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-5-pentylphenol?
The IUPAC name of 2-ethyl-3-methoxy-5-pentylphenol (CID 123850544) is 2-ethyl-3-methoxy-5-pentylphenol.
What is the SMILES notation for 2-ethyl-3-methoxy-5-pentylphenol?
The canonical SMILES for 2-ethyl-3-methoxy-5-pentylphenol is CCCCCc1cc(O)c(CC)c(OC)c1.
What is the InChIKey of 2-ethyl-3-methoxy-5-pentylphenol?
The InChIKey is GUHRMLMXHNZNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-6-7-8-11-9-13(15)12(5-2)14(10-11)16-3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-3-methoxy-5-pentylphenol?
2-ethyl-3-methoxy-5-pentylphenol has a molecular weight of 222.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-5-pentylphenol is sourced from PubChem (CID 123850544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).