[3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate

C19H21ClO6 — CID 59030264

IUPAC[3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2c(Cl)cc(C)cc2OC)C(=O)OC12CCCC2
InChIInChI=1S/C19H21ClO6/c1-4-24-18(22)25-16-15(17(21)26-19(16)7-5-6-8-19)14-12(20)9-11(2)10-13(14)23-3/h9-10H,4-8H2,1-3H3
InChIKeyJZWOUVDKCLQWBO-UHFFFAOYSA-N
MW380.82 g/mol
LogP4.41
Rot. Bonds4

About [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate

[3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate (PubChem CID 59030264) has the molecular formula C19H21ClO6 and a molecular weight of 380.82 g/mol. Its IUPAC name is [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate
PubChem CID59030264
Molecular FormulaC19H21ClO6
Molecular Weight380.82 g/mol
Exact Mass380.10
IUPAC Name[3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2c(Cl)cc(C)cc2OC)C(=O)OC12CCCC2
InChIInChI=1S/C19H21ClO6/c1-4-24-18(22)25-16-15(17(21)26-19(16)7-5-6-8-19)14-12(20)9-11(2)10-13(14)23-3/h9-10H,4-8H2,1-3H3
InChIKeyJZWOUVDKCLQWBO-UHFFFAOYSA-N
XLogP4.41
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate with MolForge

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Related Compounds

[3-(4-chloro-2-ethyl-6-methoxyphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58226431
ethyl [8-methoxy-3-(2-methoxy-4,6-dimethylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66797798
ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66793895
[3-(2-chloro-6-methoxy-4-methylphenyl)-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58385708
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] N-ethylcarbamate
CID 161078914
[3-(2-cyclopropyl-4,6-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 66797681
[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 66797755
[10-(2-methoxy-4,6-dimethylphenyl)-11-oxo-4,12-dioxadispiro[4.2.48.25]tetradec-9-en-9-yl] 2-methylpropanoate
CID 58481370
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 2-oxo-2-pyrrolidin-1-ylacetate
CID 56849538
ethyl [8-methoxy-2-oxo-3-[2,4,6-tri(propan-2-yl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66797774
ethyl [3-(4-iodo-2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66797793
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate?
The IUPAC name of [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate (CID 59030264) is [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate.
What is the SMILES notation for [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate?
The canonical SMILES for [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate is CCOC(=O)OC1=C(c2c(Cl)cc(C)cc2OC)C(=O)OC12CCCC2.
What is the InChIKey of [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate?
The InChIKey is JZWOUVDKCLQWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO6/c1-4-24-18(22)25-16-15(17(21)26-19(16)7-5-6-8-19)14-12(20)9-11(2)10-13(14)23-3/h9-10H,4-8H2,1-3H3.
What are the key properties of [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate?
[3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate has a molecular weight of 380.82 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-methoxy-4-methylphenyl)-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl] ethyl carbonate is sourced from PubChem (CID 59030264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).