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

C15H24O2 — CID 15347172

IUPAC5-nonan-2-ylbenzene-1,3-diol
SMILESCCCCCCCC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-12(2)13-9-14(16)11-15(17)10-13/h9-12,16-17H,3-8H2,1-2H3
InChIKeyRQMACUQCZAZPSP-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.56
Rot. Bonds7

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

5-nonan-2-ylbenzene-1,3-diol (PubChem CID 15347172) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-nonan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-nonan-2-ylbenzene-1,3-diol
PubChem CID15347172
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name5-nonan-2-ylbenzene-1,3-diol
SMILESCCCCCCCC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-12(2)13-9-14(16)11-15(17)10-13/h9-12,16-17H,3-8H2,1-2H3
InChIKeyRQMACUQCZAZPSP-UHFFFAOYSA-N
XLogP4.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.56
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 57199867
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CID 88842140
3-tert-butyl-2-(2-tert-butyl-6-hydroxy-4-octan-2-ylphenyl)-5-octan-2-ylphenol
CID 67350997
4-octan-2-ylphenol;4-octylphenol
CID 157081049
4-hexan-2-ylphenol
CID 12579179
5-(1-bromopentyl)benzene-1,3-diol
CID 54428742
5-(2-hydroxyheptadecyl)benzene-1,3-diol
CID 15775325
4-docosan-2-ylaniline
CID 22757336
4-butyl-2,6-di(icosan-2-yl)phenol
CID 21499273
2,6-di(hexadecan-2-yl)-4-propylphenol
CID 21499301
1-decan-2-yl-3-ethylbenzene
CID 123801933

Frequently Asked Questions

What is the IUPAC name of 5-nonan-2-ylbenzene-1,3-diol?
The IUPAC name of 5-nonan-2-ylbenzene-1,3-diol (CID 15347172) is 5-nonan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 5-nonan-2-ylbenzene-1,3-diol?
The canonical SMILES for 5-nonan-2-ylbenzene-1,3-diol is CCCCCCCC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-nonan-2-ylbenzene-1,3-diol?
The InChIKey is RQMACUQCZAZPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-7-8-12(2)13-9-14(16)11-15(17)10-13/h9-12,16-17H,3-8H2,1-2H3.
What are the key properties of 5-nonan-2-ylbenzene-1,3-diol?
5-nonan-2-ylbenzene-1,3-diol has a molecular weight of 236.36 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 15347172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).