(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

C16H20Cl2O3 — CID 79898859

IUPAC(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1c(Cl)cccc1Cl)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H20Cl2O3/c17-12-2-1-3-13(18)14(12)15(19)11-4-7-21-16(10-11)5-8-20-9-6-16/h1-3,11,15,19H,4-10H2
InChIKeyXQJHJHXBJBYMOA-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.00
Rot. Bonds2

About (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 79898859) has the molecular formula C16H20Cl2O3 and a molecular weight of 331.24 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
PubChem CID79898859
Molecular FormulaC16H20Cl2O3
Molecular Weight331.24 g/mol
Exact Mass330.08
IUPAC Name(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1c(Cl)cccc1Cl)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H20Cl2O3/c17-12-2-1-3-13(18)14(12)15(19)11-4-7-21-16(10-11)5-8-20-9-6-16/h1-3,11,15,19H,4-10H2
InChIKeyXQJHJHXBJBYMOA-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 103443445
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]benzonitrile
CID 115481042
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(4,5-dibromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902558
1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol
CID 115820856

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (CID 79898859) is (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is OC(c1c(Cl)cccc1Cl)C1CCOC2(CCOCC2)C1.
What is the InChIKey of (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is XQJHJHXBJBYMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O3/c17-12-2-1-3-13(18)14(12)15(19)11-4-7-21-16(10-11)5-8-20-9-6-16/h1-3,11,15,19H,4-10H2.
What are the key properties of (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 331.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 79898859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).