4-(5-hexylfuran-2-yl)benzene-1,2-diol

C16H20O3 — CID 24871715

IUPAC4-(5-hexylfuran-2-yl)benzene-1,2-diol
SMILESCCCCCCc1ccc(-c2ccc(O)c(O)c2)o1
InChIInChI=1S/C16H20O3/c1-2-3-4-5-6-13-8-10-16(19-13)12-7-9-14(17)15(18)11-12/h7-11,17-18H,2-6H2,1H3
InChIKeyLCSZJCQTKOAZCM-UHFFFAOYSA-N
MW260.33 g/mol
LogP4.48
Rot. Bonds6

About 4-(5-hexylfuran-2-yl)benzene-1,2-diol

4-(5-hexylfuran-2-yl)benzene-1,2-diol (PubChem CID 24871715) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-(5-hexylfuran-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(5-hexylfuran-2-yl)benzene-1,2-diol
PubChem CID24871715
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name4-(5-hexylfuran-2-yl)benzene-1,2-diol
SMILESCCCCCCc1ccc(-c2ccc(O)c(O)c2)o1
InChIInChI=1S/C16H20O3/c1-2-3-4-5-6-13-8-10-16(19-13)12-7-9-14(17)15(18)11-12/h7-11,17-18H,2-6H2,1H3
InChIKeyLCSZJCQTKOAZCM-UHFFFAOYSA-N
XLogP4.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-butyl-5-(4-methylphenyl)furan
CID 86258788
2-(5-hexylfuran-2-yl)acetic acid
CID 10954815
4-(5-dodecyl-3-hydroxy-1H-pyrrol-2-yl)benzene-1,2-diol
CID 91482553
4,5-didecylbenzene-1,2-diol
CID 15667809
bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
4-(5-dodecyl-3-hydroxyfuran-2-yl)-2,6-dihydroxyphenolate
CID 59539944
2-hexyl-5-propan-2-ylfuran
CID 11615340
acetic acid;8-(5-hexylfuran-2-yl)octan-1-ol
CID 71319263
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
2,3-dihexylbenzene-1,4-diol
CID 69329716
2-(4-chlorophenyl)-5-propylfuran
CID 91550346

Frequently Asked Questions

What is the IUPAC name of 4-(5-hexylfuran-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(5-hexylfuran-2-yl)benzene-1,2-diol (CID 24871715) is 4-(5-hexylfuran-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(5-hexylfuran-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(5-hexylfuran-2-yl)benzene-1,2-diol is CCCCCCc1ccc(-c2ccc(O)c(O)c2)o1.
What is the InChIKey of 4-(5-hexylfuran-2-yl)benzene-1,2-diol?
The InChIKey is LCSZJCQTKOAZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-2-3-4-5-6-13-8-10-16(19-13)12-7-9-14(17)15(18)11-12/h7-11,17-18H,2-6H2,1H3.
What are the key properties of 4-(5-hexylfuran-2-yl)benzene-1,2-diol?
4-(5-hexylfuran-2-yl)benzene-1,2-diol has a molecular weight of 260.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hexylfuran-2-yl)benzene-1,2-diol is sourced from PubChem (CID 24871715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).