[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol

C16H21FO4 — CID 107690992

IUPAC[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
SMILESOCc1ccc(OC2CCOC3(CCOCC3)C2)c(F)c1
InChIInChI=1S/C16H21FO4/c17-14-9-12(11-18)1-2-15(14)21-13-3-6-20-16(10-13)4-7-19-8-5-16/h1-2,9,13,18H,3-8,10-11H2
InChIKeyPFGZZYHVDJHOLM-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.42
Rot. Bonds3

About [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol

[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol (PubChem CID 107690992) has the molecular formula C16H21FO4 and a molecular weight of 296.34 g/mol. Its IUPAC name is [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
PubChem CID107690992
Molecular FormulaC16H21FO4
Molecular Weight296.34 g/mol
Exact Mass296.14
IUPAC Name[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
SMILESOCc1ccc(OC2CCOC3(CCOCC3)C2)c(F)c1
InChIInChI=1S/C16H21FO4/c17-14-9-12(11-18)1-2-15(14)21-13-3-6-20-16(10-13)4-7-19-8-5-16/h1-2,9,13,18H,3-8,10-11H2
InChIKeyPFGZZYHVDJHOLM-UHFFFAOYSA-N
XLogP2.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]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

[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
[3-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 107665408
[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
CID 79899358
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-fluorobenzoic acid
CID 107690082
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 114672924
4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
9-[2-bromo-4-(bromomethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894468
(4-cycloheptyloxy-3-fluorophenyl)methanol
CID 107690655
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366

Frequently Asked Questions

What is the IUPAC name of [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol?
The IUPAC name of [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol (CID 107690992) is [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol is OCc1ccc(OC2CCOC3(CCOCC3)C2)c(F)c1.
What is the InChIKey of [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol?
The InChIKey is PFGZZYHVDJHOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO4/c17-14-9-12(11-18)1-2-15(14)21-13-3-6-20-16(10-13)4-7-19-8-5-16/h1-2,9,13,18H,3-8,10-11H2.
What are the key properties of [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol?
[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol has a molecular weight of 296.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol is sourced from PubChem (CID 107690992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).