(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C16H20ClFO2 — CID 115823213

IUPAC(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cccc(F)c1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H20ClFO2/c17-14-12(4-3-5-13(14)18)15(19)11-6-9-20-16(10-11)7-1-2-8-16/h3-5,11,15,19H,1-2,6-10H2
InChIKeyPCCNQZHNTYVOMV-UHFFFAOYSA-N
MW298.78 g/mol
LogP4.25
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 115823213) has the molecular formula C16H20ClFO2 and a molecular weight of 298.78 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID115823213
Molecular FormulaC16H20ClFO2
Molecular Weight298.78 g/mol
Exact Mass298.11
IUPAC Name(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cccc(F)c1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H20ClFO2/c17-14-12(4-3-5-13(14)18)15(19)11-6-9-20-16(10-11)7-1-2-8-16/h3-5,11,15,19H,1-2,6-10H2
InChIKeyPCCNQZHNTYVOMV-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016808
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902767
(2,3-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906842
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913258
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 107969804

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 115823213) is (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is OC(c1cccc(F)c1Cl)C1CCOC2(CCCC2)C1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is PCCNQZHNTYVOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFO2/c17-14-12(4-3-5-13(14)18)15(19)11-6-9-20-16(10-11)7-1-2-8-16/h3-5,11,15,19H,1-2,6-10H2.
What are the key properties of (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 298.78 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 115823213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).