(4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol

C19H32F2O3 — CID 140708425

IUPAC(4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol
SMILESCCCCCCOC1CCC2C3CCC(CO)C(F)C3OC2C1F
InChIInChI=1S/C19H32F2O3/c1-2-3-4-5-10-23-15-9-8-14-13-7-6-12(11-22)16(20)18(13)24-19(14)17(15)21/h12-19,22H,2-11H2,1H3
InChIKeyPFQLRFLDIKQJQL-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.82
Rot. Bonds7

About (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol

(4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol (PubChem CID 140708425) has the molecular formula C19H32F2O3 and a molecular weight of 346.46 g/mol. Its IUPAC name is (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol.

Molecular Properties

Compound Name(4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol
PubChem CID140708425
Molecular FormulaC19H32F2O3
Molecular Weight346.46 g/mol
Exact Mass346.23
IUPAC Name(4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol
SMILESCCCCCCOC1CCC2C3CCC(CO)C(F)C3OC2C1F
InChIInChI=1S/C19H32F2O3/c1-2-3-4-5-10-23-15-9-8-14-13-7-6-12(11-22)16(20)18(13)24-19(14)17(15)21/h12-19,22H,2-11H2,1H3
InChIKeyPFQLRFLDIKQJQL-UHFFFAOYSA-N
XLogP3.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol?
The IUPAC name of (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol (CID 140708425) is (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol.
What is the SMILES notation for (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol?
The canonical SMILES for (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol is CCCCCCOC1CCC2C3CCC(CO)C(F)C3OC2C1F.
What is the InChIKey of (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol?
The InChIKey is PFQLRFLDIKQJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2O3/c1-2-3-4-5-10-23-15-9-8-14-13-7-6-12(11-22)16(20)18(13)24-19(14)17(15)21/h12-19,22H,2-11H2,1H3.
What are the key properties of (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol?
(4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol has a molecular weight of 346.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-7-hexoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol is sourced from PubChem (CID 140708425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).