(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C16H20Cl2O2 — CID 79901810

IUPAC(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H20Cl2O2/c17-12-3-4-13(14(18)9-12)15(19)11-5-8-20-16(10-11)6-1-2-7-16/h3-4,9,11,15,19H,1-2,5-8,10H2
InChIKeyJGSRNKHVNPXFKQ-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.77
Rot. Bonds2

About (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79901810) has the molecular formula C16H20Cl2O2 and a molecular weight of 315.24 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID79901810
Molecular FormulaC16H20Cl2O2
Molecular Weight315.24 g/mol
Exact Mass314.08
IUPAC Name(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H20Cl2O2/c17-12-3-4-13(14(18)9-12)15(19)11-5-8-20-16(10-11)6-1-2-7-16/h3-4,9,11,15,19H,1-2,5-8,10H2
InChIKeyJGSRNKHVNPXFKQ-UHFFFAOYSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
1-(2,4-dichlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016815
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 107969804
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 79901810) is (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is OC(c1ccc(Cl)cc1Cl)C1CCOC2(CCCC2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is JGSRNKHVNPXFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O2/c17-12-3-4-13(14(18)9-12)15(19)11-5-8-20-16(10-11)6-1-2-7-16/h3-4,9,11,15,19H,1-2,5-8,10H2.
What are the key properties of (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 315.24 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79901810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).