3-ethyl-5-pentylphenol

C13H20O — CID 130224031

IUPAC3-ethyl-5-pentylphenol
SMILESCCCCCc1cc(O)cc(CC)c1
InChIInChI=1S/C13H20O/c1-3-5-6-7-12-8-11(4-2)9-13(14)10-12/h8-10,14H,3-7H2,1-2H3
InChIKeyKJZAOPRSRYYJCH-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.69
Rot. Bonds5

About 3-ethyl-5-pentylphenol

3-ethyl-5-pentylphenol (PubChem CID 130224031) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-ethyl-5-pentylphenol.

Molecular Properties

Compound Name3-ethyl-5-pentylphenol
PubChem CID130224031
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-ethyl-5-pentylphenol
SMILESCCCCCc1cc(O)cc(CC)c1
InChIInChI=1S/C13H20O/c1-3-5-6-7-12-8-11(4-2)9-13(14)10-12/h8-10,14H,3-7H2,1-2H3
InChIKeyKJZAOPRSRYYJCH-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175718629
CID 175718629
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
3,5-dibutylphenol
CID 15936149
3-butyl-5-propylphenol
CID 69337384
1-ethyl-3-heptyl-5-propylbenzene
CID 141210303
4-butylphenol;3,5-dibutylphenol
CID 159891553
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
1-ethyl-3-methyl-5-pentylbenzene
CID 142401293
3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423
5-tridec-8-enylbenzene-1,3-diol
CID 53436336

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-pentylphenol?
The IUPAC name of 3-ethyl-5-pentylphenol (CID 130224031) is 3-ethyl-5-pentylphenol.
What is the SMILES notation for 3-ethyl-5-pentylphenol?
The canonical SMILES for 3-ethyl-5-pentylphenol is CCCCCc1cc(O)cc(CC)c1.
What is the InChIKey of 3-ethyl-5-pentylphenol?
The InChIKey is KJZAOPRSRYYJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-5-6-7-12-8-11(4-2)9-13(14)10-12/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-5-pentylphenol?
3-ethyl-5-pentylphenol has a molecular weight of 192.30 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-pentylphenol is sourced from PubChem (CID 130224031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).