2-undecan-5-ylbenzene-1,3-diol

C17H28O2 — CID 67418377

IUPAC2-undecan-5-ylbenzene-1,3-diol
SMILESCCCCCCC(CCCC)c1c(O)cccc1O
InChIInChI=1S/C17H28O2/c1-3-5-7-8-11-14(10-6-4-2)17-15(18)12-9-13-16(17)19/h9,12-14,18-19H,3-8,10-11H2,1-2H3
InChIKeyNSCCEAGUUSRYFY-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.34
Rot. Bonds9

About 2-undecan-5-ylbenzene-1,3-diol

2-undecan-5-ylbenzene-1,3-diol (PubChem CID 67418377) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-undecan-5-ylbenzene-1,3-diol.

Molecular Properties

Compound Name2-undecan-5-ylbenzene-1,3-diol
PubChem CID67418377
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-undecan-5-ylbenzene-1,3-diol
SMILESCCCCCCC(CCCC)c1c(O)cccc1O
InChIInChI=1S/C17H28O2/c1-3-5-7-8-11-14(10-6-4-2)17-15(18)12-9-13-16(17)19/h9,12-14,18-19H,3-8,10-11H2,1-2H3
InChIKeyNSCCEAGUUSRYFY-UHFFFAOYSA-N
XLogP5.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66865451
2-dodecan-4-yl-5-dodecan-5-ylbenzene-1,4-diol
CID 154127872
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-tridecan-7-ylbenzene-1,3-dicarboxylic acid
CID 174717737
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
1,2,3-tri(nonan-4-yl)benzene
CID 57102647
2-dodecyl-3-nonan-3-ylphenol
CID 174777287
4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
4-hexadecan-7-ylphenol
CID 71320883
2-chloro-5-tetradecan-5-ylbenzene-1,4-diol
CID 132521617
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of 2-undecan-5-ylbenzene-1,3-diol?
The IUPAC name of 2-undecan-5-ylbenzene-1,3-diol (CID 67418377) is 2-undecan-5-ylbenzene-1,3-diol.
What is the SMILES notation for 2-undecan-5-ylbenzene-1,3-diol?
The canonical SMILES for 2-undecan-5-ylbenzene-1,3-diol is CCCCCCC(CCCC)c1c(O)cccc1O.
What is the InChIKey of 2-undecan-5-ylbenzene-1,3-diol?
The InChIKey is NSCCEAGUUSRYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-5-7-8-11-14(10-6-4-2)17-15(18)12-9-13-16(17)19/h9,12-14,18-19H,3-8,10-11H2,1-2H3.
What are the key properties of 2-undecan-5-ylbenzene-1,3-diol?
2-undecan-5-ylbenzene-1,3-diol has a molecular weight of 264.41 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecan-5-ylbenzene-1,3-diol is sourced from PubChem (CID 67418377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).