(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

C15H18F2O3 — CID 79913258

IUPAC(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cccc(F)c1F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H18F2O3/c16-12-3-1-2-11(13(12)17)14(18)10-4-6-20-15(8-10)5-7-19-9-15/h1-3,10,14,18H,4-9H2
InChIKeyKTEIOHCDZQGYED-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.58
Rot. Bonds2

About (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79913258) has the molecular formula C15H18F2O3 and a molecular weight of 284.30 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
PubChem CID79913258
Molecular FormulaC15H18F2O3
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cccc(F)c1F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H18F2O3/c16-12-3-1-2-11(13(12)17)14(18)10-4-6-20-15(8-10)5-7-19-9-15/h1-3,10,14,18H,4-9H2
InChIKeyKTEIOHCDZQGYED-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906842
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859419
(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902767
(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906542
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
6-oxa-2-thiaspiro[4.5]decan-9-yl-(2,3,4-trifluorophenyl)methanol
CID 115823440
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
(2-amino-5-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82683334

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (CID 79913258) is (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is OC(c1cccc(F)c1F)C1CCOC2(CCOC2)C1.
What is the InChIKey of (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is KTEIOHCDZQGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O3/c16-12-3-1-2-11(13(12)17)14(18)10-4-6-20-15(8-10)5-7-19-9-15/h1-3,10,14,18H,4-9H2.
What are the key properties of (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 284.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79913258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).