[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol

C16H20F2O3 — CID 79902050

IUPAC[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1ccccc1OC(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H20F2O3/c17-15(18)21-13-5-2-1-4-12(13)14(19)11-6-9-20-16(10-11)7-3-8-16/h1-2,4-5,11,14-15,19H,3,6-10H2
InChIKeyJIJJTUJQIIQLNO-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.67
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol

[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 79902050) has the molecular formula C16H20F2O3 and a molecular weight of 298.33 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID79902050
Molecular FormulaC16H20F2O3
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1ccccc1OC(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H20F2O3/c17-15(18)21-13-5-2-1-4-12(13)14(19)11-6-9-20-16(10-11)7-3-8-16/h1-2,4-5,11,14-15,19H,3,6-10H2
InChIKeyJIJJTUJQIIQLNO-UHFFFAOYSA-N
XLogP3.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79901527
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 82686001
[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115527624
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79900352
(2,3-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906842
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 79902050) is [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol is OC(c1ccccc1OC(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is JIJJTUJQIIQLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O3/c17-15(18)21-13-5-2-1-4-12(13)14(19)11-6-9-20-16(10-11)7-3-8-16/h1-2,4-5,11,14-15,19H,3,6-10H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 298.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 79902050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).