1-dibenzofuran-2-ylhexan-1-ol

C18H20O2 — CID 63426377

IUPAC1-dibenzofuran-2-ylhexan-1-ol
SMILESCCCCCC(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H20O2/c1-2-3-4-8-16(19)13-10-11-18-15(12-13)14-7-5-6-9-17(14)20-18/h5-7,9-12,16,19H,2-4,8H2,1H3
InChIKeyRDQSZJXFMGUXCF-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.20
Rot. Bonds5

About 1-dibenzofuran-2-ylhexan-1-ol

1-dibenzofuran-2-ylhexan-1-ol (PubChem CID 63426377) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-dibenzofuran-2-ylhexan-1-ol.

Molecular Properties

Compound Name1-dibenzofuran-2-ylhexan-1-ol
PubChem CID63426377
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-dibenzofuran-2-ylhexan-1-ol
SMILESCCCCCC(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H20O2/c1-2-3-4-8-16(19)13-10-11-18-15(12-13)14-7-5-6-9-17(14)20-18/h5-7,9-12,16,19H,2-4,8H2,1H3
InChIKeyRDQSZJXFMGUXCF-UHFFFAOYSA-N
XLogP5.20
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.20
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

1-dibenzofuran-2-ylheptan-1-ol
CID 114753371
1-dibenzofuran-3-yl-3-methyloctan-1-ol
CID 143879494
1-dibenzofuran-2-yl-2-methylpentan-1-ol
CID 63426339
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
3-(1-bromopentyl)dibenzofuran
CID 114238751
4-amino-1-dibenzofuran-2-ylbutane-1,2-diol
CID 171882248
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
2-[(1S)-1-chloroethyl]dibenzofuran
CID 129370090
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879
1-dibenzofuran-2-ylprop-2-en-1-ol
CID 171366955
(1R)-1-phenyloctan-1-ol
CID 12794259

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-ylhexan-1-ol?
The IUPAC name of 1-dibenzofuran-2-ylhexan-1-ol (CID 63426377) is 1-dibenzofuran-2-ylhexan-1-ol.
What is the SMILES notation for 1-dibenzofuran-2-ylhexan-1-ol?
The canonical SMILES for 1-dibenzofuran-2-ylhexan-1-ol is CCCCCC(O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-ylhexan-1-ol?
The InChIKey is RDQSZJXFMGUXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-3-4-8-16(19)13-10-11-18-15(12-13)14-7-5-6-9-17(14)20-18/h5-7,9-12,16,19H,2-4,8H2,1H3.
What are the key properties of 1-dibenzofuran-2-ylhexan-1-ol?
1-dibenzofuran-2-ylhexan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-ylhexan-1-ol is sourced from PubChem (CID 63426377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).