4-ethyl-2-heptyl-3-pentylphenol

C20H34O — CID 66865655

IUPAC4-ethyl-2-heptyl-3-pentylphenol
SMILESCCCCCCCc1c(O)ccc(CC)c1CCCCC
InChIInChI=1S/C20H34O/c1-4-7-9-10-12-14-19-18(13-11-8-5-2)17(6-3)15-16-20(19)21/h15-16,21H,4-14H2,1-3H3
InChIKeyDEWSCPQFWAQTPB-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.20
Rot. Bonds11

About 4-ethyl-2-heptyl-3-pentylphenol

4-ethyl-2-heptyl-3-pentylphenol (PubChem CID 66865655) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 4-ethyl-2-heptyl-3-pentylphenol.

Molecular Properties

Compound Name4-ethyl-2-heptyl-3-pentylphenol
PubChem CID66865655
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name4-ethyl-2-heptyl-3-pentylphenol
SMILESCCCCCCCc1c(O)ccc(CC)c1CCCCC
InChIInChI=1S/C20H34O/c1-4-7-9-10-12-14-19-18(13-11-8-5-2)17(6-3)15-16-20(19)21/h15-16,21H,4-14H2,1-3H3
InChIKeyDEWSCPQFWAQTPB-UHFFFAOYSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.20
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-ethyl-3-hexyl-2-octylphenol
CID 66866506
2-dodecyl-4-ethyl-3-propylphenol
CID 66867159
3-butyl-4-ethyl-2-pentylphenol
CID 66866292
3,4-diheptyl-2-hexylphenol
CID 66866250
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2,3-dihexylbenzene-1,4-diol
CID 69329716
molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
CID 175333196
3-ethyl-2-octylphenol
CID 66867297
2-pentyl-3,4-dipropylphenol
CID 66866454
2-[[6-hydroxy-2,3-di(nonyl)phenyl]methyl]-3,4-di(nonyl)phenol
CID 70404380
3,4-bis(2-aminoethyl)-2-nonylphenol
CID 160520570

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-heptyl-3-pentylphenol?
The IUPAC name of 4-ethyl-2-heptyl-3-pentylphenol (CID 66865655) is 4-ethyl-2-heptyl-3-pentylphenol.
What is the SMILES notation for 4-ethyl-2-heptyl-3-pentylphenol?
The canonical SMILES for 4-ethyl-2-heptyl-3-pentylphenol is CCCCCCCc1c(O)ccc(CC)c1CCCCC.
What is the InChIKey of 4-ethyl-2-heptyl-3-pentylphenol?
The InChIKey is DEWSCPQFWAQTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-4-7-9-10-12-14-19-18(13-11-8-5-2)17(6-3)15-16-20(19)21/h15-16,21H,4-14H2,1-3H3.
What are the key properties of 4-ethyl-2-heptyl-3-pentylphenol?
4-ethyl-2-heptyl-3-pentylphenol has a molecular weight of 290.49 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-heptyl-3-pentylphenol is sourced from PubChem (CID 66865655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).