3-decan-4-yloxyphenol

C16H26O2 — CID 57284040

IUPAC3-decan-4-yloxyphenol
SMILESCCCCCCC(CCC)Oc1cccc(O)c1
InChIInChI=1S/C16H26O2/c1-3-5-6-7-11-15(9-4-2)18-16-12-8-10-14(17)13-16/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3
InChIKeyULUXVWBKHBTAMK-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.91
Rot. Bonds9

About 3-decan-4-yloxyphenol

3-decan-4-yloxyphenol (PubChem CID 57284040) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-decan-4-yloxyphenol.

Molecular Properties

Compound Name3-decan-4-yloxyphenol
PubChem CID57284040
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name3-decan-4-yloxyphenol
SMILESCCCCCCC(CCC)Oc1cccc(O)c1
InChIInChI=1S/C16H26O2/c1-3-5-6-7-11-15(9-4-2)18-16-12-8-10-14(17)13-16/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3
InChIKeyULUXVWBKHBTAMK-UHFFFAOYSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyloctan-2-yloxy)phenol
CID 70609437
tetracosan-8-yloxybenzene
CID 154135377
1-(dibromomethyl)-3-hexadecan-7-yloxybenzene
CID 175149565
undecan-6-yloxybenzene
CID 130316504
3-(1-fluorobutoxy)phenol
CID 174949464
3-dodecoxyphenol
CID 15719132
2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
CID 139715170
benzene-1,3-diol;bis(2-heptylpropanedioic acid)
CID 70630112
3-octylperoxyphenol
CID 174622967
3-(3,4-dihydroxyphenoxy)nonadecanoic acid
CID 139673022
4-octan-3-yloxyphenol
CID 54268247
butyl 2-(3-hydroxyphenoxy)propanoate
CID 154641842

Frequently Asked Questions

What is the IUPAC name of 3-decan-4-yloxyphenol?
The IUPAC name of 3-decan-4-yloxyphenol (CID 57284040) is 3-decan-4-yloxyphenol.
What is the SMILES notation for 3-decan-4-yloxyphenol?
The canonical SMILES for 3-decan-4-yloxyphenol is CCCCCCC(CCC)Oc1cccc(O)c1.
What is the InChIKey of 3-decan-4-yloxyphenol?
The InChIKey is ULUXVWBKHBTAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-6-7-11-15(9-4-2)18-16-12-8-10-14(17)13-16/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3.
What are the key properties of 3-decan-4-yloxyphenol?
3-decan-4-yloxyphenol has a molecular weight of 250.38 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decan-4-yloxyphenol is sourced from PubChem (CID 57284040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).