ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate

C23H24O4 — CID 59898622

IUPACethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)CC(=O)c1ccc(-c3ccccc3)cc1O2
InChIInChI=1S/C23H24O4/c1-2-26-22(25)17-10-12-23(13-11-17)15-20(24)19-9-8-18(14-21(19)27-23)16-6-4-3-5-7-16/h3-9,14,17H,2,10-13,15H2,1H3
InChIKeyZOGLYNHIYZVPPD-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.81
Rot. Bonds3

About ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate

ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate (PubChem CID 59898622) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate
PubChem CID59898622
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Nameethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)CC(=O)c1ccc(-c3ccccc3)cc1O2
InChIInChI=1S/C23H24O4/c1-2-26-22(25)17-10-12-23(13-11-17)15-20(24)19-9-8-18(14-21(19)27-23)16-6-4-3-5-7-16/h3-9,14,17H,2,10-13,15H2,1H3
InChIKeyZOGLYNHIYZVPPD-UHFFFAOYSA-N
XLogP4.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-methyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-carboxylate
CID 92592951
ethyl 1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 6940146
ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
ethyl (1'S,2S,5'R,6'R)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxylate
CID 124824195
7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 59898691
7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114673376
ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate
CID 14376499
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 7-bromo-3-(2-cyanoethyl)-4-oxospiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate
CID 59898616
diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 154462590
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate?
The IUPAC name of ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate (CID 59898622) is ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate.
What is the SMILES notation for ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate?
The canonical SMILES for ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate is CCOC(=O)C1CCC2(CC1)CC(=O)c1ccc(-c3ccccc3)cc1O2.
What is the InChIKey of ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate?
The InChIKey is ZOGLYNHIYZVPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-2-26-22(25)17-10-12-23(13-11-17)15-20(24)19-9-8-18(14-21(19)27-23)16-6-4-3-5-7-16/h3-9,14,17H,2,10-13,15H2,1H3.
What are the key properties of ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate?
ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate is sourced from PubChem (CID 59898622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).