8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol

C15H18ClFO3 — CID 102856927

IUPAC8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(Cc2cccc(Cl)c2F)CCC2(CC1)OCCO2
InChIInChI=1S/C15H18ClFO3/c16-12-3-1-2-11(13(12)17)10-14(18)4-6-15(7-5-14)19-8-9-20-15/h1-3,18H,4-10H2
InChIKeyXVFYKBPOVYUVPE-UHFFFAOYSA-N
MW300.76 g/mol
LogP3.07
Rot. Bonds2

About 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 102856927) has the molecular formula C15H18ClFO3 and a molecular weight of 300.76 g/mol. Its IUPAC name is 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID102856927
Molecular FormulaC15H18ClFO3
Molecular Weight300.76 g/mol
Exact Mass300.09
IUPAC Name8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(Cc2cccc(Cl)c2F)CCC2(CC1)OCCO2
InChIInChI=1S/C15H18ClFO3/c16-12-3-1-2-11(13(12)17)10-14(18)4-6-15(7-5-14)19-8-9-20-15/h1-3,18H,4-10H2
InChIKeyXVFYKBPOVYUVPE-UHFFFAOYSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 59186648
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061
4-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxycyclohexan-1-one
CID 102856928
8-[[2-(hydroxymethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 162442263
N-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86779123
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 102857011
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
3-(bromomethyl)-3-[(3-chloro-2-fluorophenyl)methyl]oxolane
CID 102863787
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 102856927) is 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol is OC1(Cc2cccc(Cl)c2F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is XVFYKBPOVYUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO3/c16-12-3-1-2-11(13(12)17)10-14(18)4-6-15(7-5-14)19-8-9-20-15/h1-3,18H,4-10H2.
What are the key properties of 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 300.76 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 102856927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).