2-decyl-3-(2-methylpropyl)phenol

C20H34O — CID 159869445

IUPAC2-decyl-3-(2-methylpropyl)phenol
SMILESCCCCCCCCCCc1c(O)cccc1CC(C)C
InChIInChI=1S/C20H34O/c1-4-5-6-7-8-9-10-11-14-19-18(16-17(2)3)13-12-15-20(19)21/h12-13,15,17,21H,4-11,14,16H2,1-3H3
InChIKeyNSDNCRJEOMLOGU-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.27
Rot. Bonds11

About 2-decyl-3-(2-methylpropyl)phenol

2-decyl-3-(2-methylpropyl)phenol (PubChem CID 159869445) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-decyl-3-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-decyl-3-(2-methylpropyl)phenol
PubChem CID159869445
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2-decyl-3-(2-methylpropyl)phenol
SMILESCCCCCCCCCCc1c(O)cccc1CC(C)C
InChIInChI=1S/C20H34O/c1-4-5-6-7-8-9-10-11-14-19-18(16-17(2)3)13-12-15-20(19)21/h12-13,15,17,21H,4-11,14,16H2,1-3H3
InChIKeyNSDNCRJEOMLOGU-UHFFFAOYSA-N
XLogP6.27
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 ≤ 56.27
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

2,3-di(nonadecyl)phenol
CID 151687635
3-ethyl-2-octylphenol
CID 66867297
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
(2-dodecyl-3-hydroxyphenyl)methyl-trimethylazanium
CID 88796125
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565
2-pentylbenzene-1,3-diol
CID 15007741
2-dodecyl-3-(10-sulfanyldecyl)phenol
CID 151416798
2,3-bis[2-(2-hexylphenyl)propyl]phenol
CID 67225670
2,3-bis[2-(2-nonylphenyl)propyl]phenol
CID 67225737
2-hexyl-3-methylphenol
CID 28322
2-(hydroxymethyl)-3-icosylphenol
CID 54519550

Frequently Asked Questions

What is the IUPAC name of 2-decyl-3-(2-methylpropyl)phenol?
The IUPAC name of 2-decyl-3-(2-methylpropyl)phenol (CID 159869445) is 2-decyl-3-(2-methylpropyl)phenol.
What is the SMILES notation for 2-decyl-3-(2-methylpropyl)phenol?
The canonical SMILES for 2-decyl-3-(2-methylpropyl)phenol is CCCCCCCCCCc1c(O)cccc1CC(C)C.
What is the InChIKey of 2-decyl-3-(2-methylpropyl)phenol?
The InChIKey is NSDNCRJEOMLOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-4-5-6-7-8-9-10-11-14-19-18(16-17(2)3)13-12-15-20(19)21/h12-13,15,17,21H,4-11,14,16H2,1-3H3.
What are the key properties of 2-decyl-3-(2-methylpropyl)phenol?
2-decyl-3-(2-methylpropyl)phenol has a molecular weight of 290.49 g/mol, XLogP of 6.27, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-(2-methylpropyl)phenol is sourced from PubChem (CID 159869445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).