(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

C16H19ClO2S — CID 79920949

IUPAC(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1ccccc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H19ClO2S/c17-14-4-2-1-3-13(14)15(18)12-5-8-19-16(11-12)6-9-20-10-7-16/h1-4,12H,5-11H2
InChIKeyVISZMAGBSLWWQK-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.22
Rot. Bonds2

About (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (PubChem CID 79920949) has the molecular formula C16H19ClO2S and a molecular weight of 310.85 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
PubChem CID79920949
Molecular FormulaC16H19ClO2S
Molecular Weight310.85 g/mol
Exact Mass310.08
IUPAC Name(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1ccccc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H19ClO2S/c17-14-4-2-1-3-13(14)15(18)12-5-8-19-16(11-12)6-9-20-10-7-16/h1-4,12H,5-11H2
InChIKeyVISZMAGBSLWWQK-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 115788319
(3,4-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 81494502
(4-amino-3-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116581898
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-2-yl)methanone
CID 79912888
(4-chloro-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921860
(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79912433
(2,5-dimethylfuran-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 115788424
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260
(3-chloro-5-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 115788360
(3-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787814
(3-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787426

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (CID 79920949) is (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is O=C(c1ccccc1Cl)C1CCOC2(CCSCC2)C1.
What is the InChIKey of (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is VISZMAGBSLWWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO2S/c17-14-4-2-1-3-13(14)15(18)12-5-8-19-16(11-12)6-9-20-10-7-16/h1-4,12H,5-11H2.
What are the key properties of (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 310.85 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 79920949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).