1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol

C16H21ClO3 — CID 79902291

IUPAC1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H21ClO3/c1-15(18,12-2-4-14(17)5-3-12)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13,18H,6-11H2,1H3
InChIKeyUXQAXDCOKJSPAN-UHFFFAOYSA-N
MW296.79 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol

1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79902291) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
PubChem CID79902291
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H21ClO3/c1-15(18,12-2-4-14(17)5-3-12)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13,18H,6-11H2,1H3
InChIKeyUXQAXDCOKJSPAN-UHFFFAOYSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol (CID 79902291) is 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol is CC(O)(c1ccc(Cl)cc1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is UXQAXDCOKJSPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-15(18,12-2-4-14(17)5-3-12)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13,18H,6-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol?
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 296.79 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79902291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).