(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

C16H20BrFO3 — CID 79906542

IUPAC(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1cc(Br)ccc1F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H20BrFO3/c17-12-1-2-14(18)13(9-12)15(19)11-3-6-21-16(10-11)4-7-20-8-5-16/h1-2,9,11,15,19H,3-8,10H2
InChIKeyARWDDMGXUUOXOS-UHFFFAOYSA-N
MW359.24 g/mol
LogP3.60
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 79906542) has the molecular formula C16H20BrFO3 and a molecular weight of 359.24 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
PubChem CID79906542
Molecular FormulaC16H20BrFO3
Molecular Weight359.24 g/mol
Exact Mass358.06
IUPAC Name(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1cc(Br)ccc1F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H20BrFO3/c17-12-1-2-14(18)13(9-12)15(19)11-3-6-21-16(10-11)4-7-20-8-5-16/h1-2,9,11,15,19H,3-8,10H2
InChIKeyARWDDMGXUUOXOS-UHFFFAOYSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-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-amino-5-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82697881
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
(2,3-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906842
(2-amino-5-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82683334
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902767
(4,5-dibromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902558
(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913258
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (CID 79906542) is (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is OC(c1cc(Br)ccc1F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is ARWDDMGXUUOXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFO3/c17-12-1-2-14(18)13(9-12)15(19)11-3-6-21-16(10-11)4-7-20-8-5-16/h1-2,9,11,15,19H,3-8,10H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 359.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 79906542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).