4-nonoxybenzene-1,3-diol

C15H24O3 — CID 66563301

IUPAC4-nonoxybenzene-1,3-diol
SMILESCCCCCCCCCOc1ccc(O)cc1O
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12,16-17H,2-8,11H2,1H3
InChIKeyXGUNGSAHBWEKLA-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.23
Rot. Bonds9

About 4-nonoxybenzene-1,3-diol

4-nonoxybenzene-1,3-diol (PubChem CID 66563301) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-nonoxybenzene-1,3-diol.

Molecular Properties

Compound Name4-nonoxybenzene-1,3-diol
PubChem CID66563301
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-nonoxybenzene-1,3-diol
SMILESCCCCCCCCCOc1ccc(O)cc1O
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12,16-17H,2-8,11H2,1H3
InChIKeyXGUNGSAHBWEKLA-UHFFFAOYSA-N
XLogP4.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propoxybenzene-1,3-diol
CID 66563298
3-(hydroxymethyl)-4-nonoxyphenol
CID 14278819
2-tridecoxyphenol
CID 67178320
3-hydroxy-4-octoxybenzaldehyde
CID 59691799
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
5-(1-aminoethyl)-2-heptoxyphenol
CID 67604172
CID 102285591
CID 102285591
5-nitro-2-tetradecoxyphenol
CID 19747178
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
2-hexadecoxy-4-hydroxybenzoic acid
CID 102239307
2,3,4-tridodecoxyphenol
CID 67180426
1,4,5,8-tetrahexoxyanthracene
CID 101142141

Frequently Asked Questions

What is the IUPAC name of 4-nonoxybenzene-1,3-diol?
The IUPAC name of 4-nonoxybenzene-1,3-diol (CID 66563301) is 4-nonoxybenzene-1,3-diol.
What is the SMILES notation for 4-nonoxybenzene-1,3-diol?
The canonical SMILES for 4-nonoxybenzene-1,3-diol is CCCCCCCCCOc1ccc(O)cc1O.
What is the InChIKey of 4-nonoxybenzene-1,3-diol?
The InChIKey is XGUNGSAHBWEKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12,16-17H,2-8,11H2,1H3.
What are the key properties of 4-nonoxybenzene-1,3-diol?
4-nonoxybenzene-1,3-diol has a molecular weight of 252.35 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonoxybenzene-1,3-diol is sourced from PubChem (CID 66563301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).