1-dibenzofuran-3-yl-3-methyloctan-1-ol

C21H26O2 — CID 143879494

IUPAC1-dibenzofuran-3-yl-3-methyloctan-1-ol
SMILESCCCCCC(C)CC(O)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C21H26O2/c1-3-4-5-8-15(2)13-19(22)16-11-12-18-17-9-6-7-10-20(17)23-21(18)14-16/h6-7,9-12,14-15,19,22H,3-5,8,13H2,1-2H3
InChIKeyOAYWCMXDEOZSLY-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.23
Rot. Bonds7

About 1-dibenzofuran-3-yl-3-methyloctan-1-ol

1-dibenzofuran-3-yl-3-methyloctan-1-ol (PubChem CID 143879494) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-3-methyloctan-1-ol.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-3-methyloctan-1-ol
PubChem CID143879494
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name1-dibenzofuran-3-yl-3-methyloctan-1-ol
SMILESCCCCCC(C)CC(O)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C21H26O2/c1-3-4-5-8-15(2)13-19(22)16-11-12-18-17-9-6-7-10-20(17)23-21(18)14-16/h6-7,9-12,14-15,19,22H,3-5,8,13H2,1-2H3
InChIKeyOAYWCMXDEOZSLY-UHFFFAOYSA-N
XLogP6.23
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.23
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

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1-dibenzofuran-2-yl-2-methylpentan-1-ol
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CID 61088660
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1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
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CID 91396098
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CID 174821059
2-(7-hydroxypentadecyl)chromen-4-one
CID 175037169

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-3-methyloctan-1-ol?
The IUPAC name of 1-dibenzofuran-3-yl-3-methyloctan-1-ol (CID 143879494) is 1-dibenzofuran-3-yl-3-methyloctan-1-ol.
What is the SMILES notation for 1-dibenzofuran-3-yl-3-methyloctan-1-ol?
The canonical SMILES for 1-dibenzofuran-3-yl-3-methyloctan-1-ol is CCCCCC(C)CC(O)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-3-yl-3-methyloctan-1-ol?
The InChIKey is OAYWCMXDEOZSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-3-4-5-8-15(2)13-19(22)16-11-12-18-17-9-6-7-10-20(17)23-21(18)14-16/h6-7,9-12,14-15,19,22H,3-5,8,13H2,1-2H3.
What are the key properties of 1-dibenzofuran-3-yl-3-methyloctan-1-ol?
1-dibenzofuran-3-yl-3-methyloctan-1-ol has a molecular weight of 310.44 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-3-methyloctan-1-ol is sourced from PubChem (CID 143879494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).