1-dibenzofuran-2-ylheptan-1-ol

C19H22O2 — CID 114753371

IUPAC1-dibenzofuran-2-ylheptan-1-ol
SMILESCCCCCCC(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H22O2/c1-2-3-4-5-9-17(20)14-11-12-19-16(13-14)15-8-6-7-10-18(15)21-19/h6-8,10-13,17,20H,2-5,9H2,1H3
InChIKeyNJCIHNLTFQOJFW-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.59
Rot. Bonds6

About 1-dibenzofuran-2-ylheptan-1-ol

1-dibenzofuran-2-ylheptan-1-ol (PubChem CID 114753371) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-dibenzofuran-2-ylheptan-1-ol.

Molecular Properties

Compound Name1-dibenzofuran-2-ylheptan-1-ol
PubChem CID114753371
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-dibenzofuran-2-ylheptan-1-ol
SMILESCCCCCCC(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H22O2/c1-2-3-4-5-9-17(20)14-11-12-19-16(13-14)15-8-6-7-10-18(15)21-19/h6-8,10-13,17,20H,2-5,9H2,1H3
InChIKeyNJCIHNLTFQOJFW-UHFFFAOYSA-N
XLogP5.59
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.59
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-ylhexan-1-ol
CID 63426377
1-dibenzofuran-3-yl-3-methyloctan-1-ol
CID 143879494
1-dibenzofuran-2-yl-2-methylpentan-1-ol
CID 63426339
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
3-(1-bromopentyl)dibenzofuran
CID 114238751
4-amino-1-dibenzofuran-2-ylbutane-1,2-diol
CID 171882248
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879
1-dibenzofuran-2-ylprop-2-en-1-ol
CID 171366955

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-ylheptan-1-ol?
The IUPAC name of 1-dibenzofuran-2-ylheptan-1-ol (CID 114753371) is 1-dibenzofuran-2-ylheptan-1-ol.
What is the SMILES notation for 1-dibenzofuran-2-ylheptan-1-ol?
The canonical SMILES for 1-dibenzofuran-2-ylheptan-1-ol is CCCCCCC(O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-ylheptan-1-ol?
The InChIKey is NJCIHNLTFQOJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-3-4-5-9-17(20)14-11-12-19-16(13-14)15-8-6-7-10-18(15)21-19/h6-8,10-13,17,20H,2-5,9H2,1H3.
What are the key properties of 1-dibenzofuran-2-ylheptan-1-ol?
1-dibenzofuran-2-ylheptan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-ylheptan-1-ol is sourced from PubChem (CID 114753371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).