2-nonyl-3-prop-1-enylphenol

C18H28O — CID 140652201

IUPAC2-nonyl-3-prop-1-enylphenol
SMILESCC=Cc1cccc(O)c1CCCCCCCCC
InChIInChI=1S/C18H28O/c1-3-5-6-7-8-9-10-14-17-16(12-4-2)13-11-15-18(17)19/h4,11-13,15,19H,3,5-10,14H2,1-2H3
InChIKeyVNZSYFVRTJOAQE-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.72
Rot. Bonds9

About 2-nonyl-3-prop-1-enylphenol

2-nonyl-3-prop-1-enylphenol (PubChem CID 140652201) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-nonyl-3-prop-1-enylphenol.

Molecular Properties

Compound Name2-nonyl-3-prop-1-enylphenol
PubChem CID140652201
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-nonyl-3-prop-1-enylphenol
SMILESCC=Cc1cccc(O)c1CCCCCCCCC
InChIInChI=1S/C18H28O/c1-3-5-6-7-8-9-10-14-17-16(12-4-2)13-11-15-18(17)19/h4,11-13,15,19H,3,5-10,14H2,1-2H3
InChIKeyVNZSYFVRTJOAQE-UHFFFAOYSA-N
XLogP5.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.72
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-decyl-3-hydroxybenzaldehyde
CID 141168439
2-pentylbenzene-1,3-diol
CID 15007741
2-hexyl-3-methylphenol
CID 28322
2,3-dihexylbenzene-1,4-diol
CID 69329716
3-octyl-2-prop-1-enylphenol
CID 70012746
2,3-di(nonadecyl)phenol
CID 151687635
3-amino-2-decylphenol
CID 70595254
3-ethyl-2-octylphenol
CID 66867297
2-butyl-3-hexylphenol
CID 141346396
3-chloro-2-heptylphenol
CID 71090054
3-butyl-2-hexylphenol
CID 66867063
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-3-prop-1-enylphenol?
The IUPAC name of 2-nonyl-3-prop-1-enylphenol (CID 140652201) is 2-nonyl-3-prop-1-enylphenol.
What is the SMILES notation for 2-nonyl-3-prop-1-enylphenol?
The canonical SMILES for 2-nonyl-3-prop-1-enylphenol is CC=Cc1cccc(O)c1CCCCCCCCC.
What is the InChIKey of 2-nonyl-3-prop-1-enylphenol?
The InChIKey is VNZSYFVRTJOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-5-6-7-8-9-10-14-17-16(12-4-2)13-11-15-18(17)19/h4,11-13,15,19H,3,5-10,14H2,1-2H3.
What are the key properties of 2-nonyl-3-prop-1-enylphenol?
2-nonyl-3-prop-1-enylphenol has a molecular weight of 260.42 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3-prop-1-enylphenol is sourced from PubChem (CID 140652201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).