4-nonyl-2-pentylphenol

C20H34O — CID 86162849

IUPAC4-nonyl-2-pentylphenol
SMILESCCCCCCCCCc1ccc(O)c(CCCCC)c1
InChIInChI=1S/C20H34O/c1-3-5-7-8-9-10-12-13-18-15-16-20(21)19(17-18)14-11-6-4-2/h15-17,21H,3-14H2,1-2H3
InChIKeyMJROPBMPOYHTFU-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.42
Rot. Bonds12

About 4-nonyl-2-pentylphenol

4-nonyl-2-pentylphenol (PubChem CID 86162849) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 4-nonyl-2-pentylphenol.

Molecular Properties

Compound Name4-nonyl-2-pentylphenol
PubChem CID86162849
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name4-nonyl-2-pentylphenol
SMILESCCCCCCCCCc1ccc(O)c(CCCCC)c1
InChIInChI=1S/C20H34O/c1-3-5-7-8-9-10-12-13-18-15-16-20(21)19(17-18)14-11-6-4-2/h15-17,21H,3-14H2,1-2H3
InChIKeyMJROPBMPOYHTFU-UHFFFAOYSA-N
XLogP6.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.42
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

2-ethyl-4-heptylphenol
CID 58289223
4-[(dimethylamino)methyl]-2-octylphenol
CID 70503511
2-butyl-5-pentadecylphenol
CID 175271686
2-tridecylbenzene-1,4-diol
CID 19033717
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806
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

Frequently Asked Questions

What is the IUPAC name of 4-nonyl-2-pentylphenol?
The IUPAC name of 4-nonyl-2-pentylphenol (CID 86162849) is 4-nonyl-2-pentylphenol.
What is the SMILES notation for 4-nonyl-2-pentylphenol?
The canonical SMILES for 4-nonyl-2-pentylphenol is CCCCCCCCCc1ccc(O)c(CCCCC)c1.
What is the InChIKey of 4-nonyl-2-pentylphenol?
The InChIKey is MJROPBMPOYHTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-3-5-7-8-9-10-12-13-18-15-16-20(21)19(17-18)14-11-6-4-2/h15-17,21H,3-14H2,1-2H3.
What are the key properties of 4-nonyl-2-pentylphenol?
4-nonyl-2-pentylphenol has a molecular weight of 290.49 g/mol, XLogP of 6.42, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-2-pentylphenol is sourced from PubChem (CID 86162849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).