(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

C17H21ClO2 — CID 79912890

IUPAC(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H21ClO2/c18-15-6-4-5-13(11-15)16(19)14-7-10-20-17(12-14)8-2-1-3-9-17/h4-6,11,14H,1-3,7-10,12H2
InChIKeyGAFDMPOKYXHWGK-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.65
Rot. Bonds2

About (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 79912890) has the molecular formula C17H21ClO2 and a molecular weight of 292.81 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
PubChem CID79912890
Molecular FormulaC17H21ClO2
Molecular Weight292.81 g/mol
Exact Mass292.12
IUPAC Name(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H21ClO2/c18-15-6-4-5-13(11-15)16(19)14-7-10-20-17(12-14)8-2-1-3-9-17/h4-6,11,14H,1-3,7-10,12H2
InChIKeyGAFDMPOKYXHWGK-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79912670
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
2-(3-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 105119071
2-(3-chlorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909435
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(3-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787426
(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (CID 79912890) is (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is O=C(c1cccc(Cl)c1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is GAFDMPOKYXHWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO2/c18-15-6-4-5-13(11-15)16(19)14-7-10-20-17(12-14)8-2-1-3-9-17/h4-6,11,14H,1-3,7-10,12H2.
What are the key properties of (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 292.81 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 79912890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).