(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

C17H20Cl2O2 — CID 115787260

IUPAC(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H20Cl2O2/c18-13-4-5-14(15(19)10-13)16(20)12-6-9-21-17(11-12)7-2-1-3-8-17/h4-5,10,12H,1-3,6-9,11H2
InChIKeyFCBSBYSHMDDXFL-UHFFFAOYSA-N
MW327.25 g/mol
LogP5.31
Rot. Bonds2

About (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 115787260) has the molecular formula C17H20Cl2O2 and a molecular weight of 327.25 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
PubChem CID115787260
Molecular FormulaC17H20Cl2O2
Molecular Weight327.25 g/mol
Exact Mass326.08
IUPAC Name(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H20Cl2O2/c18-13-4-5-14(15(19)10-13)16(20)12-6-9-21-17(11-12)7-2-1-3-8-17/h4-5,10,12H,1-3,6-9,11H2
InChIKeyFCBSBYSHMDDXFL-UHFFFAOYSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.25
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone with MolForge

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Related Compounds

(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(5-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787252
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
(5-chloro-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 114885073
(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921615
(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79909721
(5-chloro-2-methylphenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784636
(2-fluoro-4-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787768
(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788
(4-chloro-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921860
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106865081

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (CID 115787260) is (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is O=C(c1ccc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is FCBSBYSHMDDXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2O2/c18-13-4-5-14(15(19)10-13)16(20)12-6-9-21-17(11-12)7-2-1-3-8-17/h4-5,10,12H,1-3,6-9,11H2.
What are the key properties of (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 327.25 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 115787260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).