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

C15H24F2O3 — CID 140708408

IUPAC(7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol
SMILESCCOC1CCC2C3CCC(CO)C(F)C3OC2C1F
InChIInChI=1S/C15H24F2O3/c1-2-19-11-6-5-10-9-4-3-8(7-18)12(16)14(9)20-15(10)13(11)17/h8-15,18H,2-7H2,1H3
InChIKeyJWRMAVFHNKORFS-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.26
Rot. Bonds3

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

(7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol (PubChem CID 140708408) has the molecular formula C15H24F2O3 and a molecular weight of 290.35 g/mol. Its IUPAC name is (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol.

Molecular Properties

Compound Name(7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol
PubChem CID140708408
Molecular FormulaC15H24F2O3
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name(7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol
SMILESCCOC1CCC2C3CCC(CO)C(F)C3OC2C1F
InChIInChI=1S/C15H24F2O3/c1-2-19-11-6-5-10-9-4-3-8(7-18)12(16)14(9)20-15(10)13(11)17/h8-15,18H,2-7H2,1H3
InChIKeyJWRMAVFHNKORFS-UHFFFAOYSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol?
The IUPAC name of (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol (CID 140708408) is (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol.
What is the SMILES notation for (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol?
The canonical SMILES for (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol is CCOC1CCC2C3CCC(CO)C(F)C3OC2C1F.
What is the InChIKey of (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol?
The InChIKey is JWRMAVFHNKORFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O3/c1-2-19-11-6-5-10-9-4-3-8(7-18)12(16)14(9)20-15(10)13(11)17/h8-15,18H,2-7H2,1H3.
What are the key properties of (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol?
(7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol has a molecular weight of 290.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethoxy-4,6-difluoro-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)methanol is sourced from PubChem (CID 140708408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).