2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol

C16H21FO3 — CID 79912707

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H21FO3/c1-11-8-13(17)2-3-14(11)15(18)12-4-6-20-16(9-12)5-7-19-10-16/h2-3,8,12,15,18H,4-7,9-10H2,1H3
InChIKeyJZPFRLPJYVCNAF-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.75
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol (PubChem CID 79912707) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
PubChem CID79912707
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H21FO3/c1-11-8-13(17)2-3-14(11)15(18)12-4-6-20-16(9-12)5-7-19-10-16/h2-3,8,12,15,18H,4-7,9-10H2,1H3
InChIKeyJZPFRLPJYVCNAF-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(2-amino-5-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82683334
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913258
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
1-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 79909223
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859419
(2-bromo-5-methoxyphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 105116300

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol (CID 79912707) is 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is JZPFRLPJYVCNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c1-11-8-13(17)2-3-14(11)15(18)12-4-6-20-16(9-12)5-7-19-10-16/h2-3,8,12,15,18H,4-7,9-10H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 280.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 79912707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).