2-ethyl-4-heptylphenol

C15H24O — CID 58289223

IUPAC2-ethyl-4-heptylphenol
SMILESCCCCCCCc1ccc(O)c(CC)c1
InChIInChI=1S/C15H24O/c1-3-5-6-7-8-9-13-10-11-15(16)14(4-2)12-13/h10-12,16H,3-9H2,1-2H3
InChIKeyGNNUIASUJJVTDP-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.47
Rot. Bonds7

About 2-ethyl-4-heptylphenol

2-ethyl-4-heptylphenol (PubChem CID 58289223) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-ethyl-4-heptylphenol.

Molecular Properties

Compound Name2-ethyl-4-heptylphenol
PubChem CID58289223
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-ethyl-4-heptylphenol
SMILESCCCCCCCc1ccc(O)c(CC)c1
InChIInChI=1S/C15H24O/c1-3-5-6-7-8-9-13-10-11-15(16)14(4-2)12-13/h10-12,16H,3-9H2,1-2H3
InChIKeyGNNUIASUJJVTDP-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.47
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

4-nonyl-2-pentylphenol
CID 86162849
2-ethyl-5-nonylphenol
CID 54394722
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
2-methyl-4-octadecylphenol
CID 3022311
1-[1,1-dihydroxyethyl-[(5-heptyl-2-hydroxyphenyl)methyl]amino]ethane-1,1-diol
CID 101326365
2-[(2-hydroxy-5-nonylphenyl)methylamino]acetic acid
CID 67635649
2-[2,2-dihydroxyethyl-[(2-hydroxy-5-octylphenyl)methyl]amino]ethane-1,1-diol
CID 101326369
2-[2,2-dihydroxyethyl-[(5-heptyl-2-hydroxyphenyl)methyl]amino]ethane-1,1-diol
CID 101326363
2-butyl-5-pentadecylphenol
CID 175271686
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
sodium 2-[(5-heptyl-2-hydroxyphenyl)methyl-methylamino]acetate
CID 23697112
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-heptylphenol?
The IUPAC name of 2-ethyl-4-heptylphenol (CID 58289223) is 2-ethyl-4-heptylphenol.
What is the SMILES notation for 2-ethyl-4-heptylphenol?
The canonical SMILES for 2-ethyl-4-heptylphenol is CCCCCCCc1ccc(O)c(CC)c1.
What is the InChIKey of 2-ethyl-4-heptylphenol?
The InChIKey is GNNUIASUJJVTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-3-5-6-7-8-9-13-10-11-15(16)14(4-2)12-13/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-4-heptylphenol?
2-ethyl-4-heptylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-heptylphenol is sourced from PubChem (CID 58289223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).