2-(2-methylidenedecyl)phenol

C17H26O — CID 15892431

IUPAC2-(2-methylidenedecyl)phenol
SMILESC=C(CCCCCCCC)Cc1ccccc1O
InChIInChI=1S/C17H26O/c1-3-4-5-6-7-8-11-15(2)14-16-12-9-10-13-17(16)18/h9-10,12-13,18H,2-8,11,14H2,1H3
InChIKeyYFGSJAWXWDEZKA-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.24
Rot. Bonds9

About 2-(2-methylidenedecyl)phenol

2-(2-methylidenedecyl)phenol (PubChem CID 15892431) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-(2-methylidenedecyl)phenol.

Molecular Properties

Compound Name2-(2-methylidenedecyl)phenol
PubChem CID15892431
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-(2-methylidenedecyl)phenol
SMILESC=C(CCCCCCCC)Cc1ccccc1O
InChIInChI=1S/C17H26O/c1-3-4-5-6-7-8-11-15(2)14-16-12-9-10-13-17(16)18/h9-10,12-13,18H,2-8,11,14H2,1H3
InChIKeyYFGSJAWXWDEZKA-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethene;2-nonylphenol
CID 66616289
2-dodecylphenol
CID 160834917
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
6-methylidenetetradecane
CID 21477883

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenedecyl)phenol?
The IUPAC name of 2-(2-methylidenedecyl)phenol (CID 15892431) is 2-(2-methylidenedecyl)phenol.
What is the SMILES notation for 2-(2-methylidenedecyl)phenol?
The canonical SMILES for 2-(2-methylidenedecyl)phenol is C=C(CCCCCCCC)Cc1ccccc1O.
What is the InChIKey of 2-(2-methylidenedecyl)phenol?
The InChIKey is YFGSJAWXWDEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-4-5-6-7-8-11-15(2)14-16-12-9-10-13-17(16)18/h9-10,12-13,18H,2-8,11,14H2,1H3.
What are the key properties of 2-(2-methylidenedecyl)phenol?
2-(2-methylidenedecyl)phenol has a molecular weight of 246.39 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenedecyl)phenol is sourced from PubChem (CID 15892431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).