methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate

C24H24O3 — CID 134847821

IUPACmethyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate
SMILESCOC(=O)C1=C(O)C(C)(C)CCC12C=C(c1ccccc1)c1ccccc12
InChIInChI=1S/C24H24O3/c1-23(2)13-14-24(20(21(23)25)22(26)27-3)15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)24/h4-12,15,25H,13-14H2,1-3H3
InChIKeyDLTWLVLWFQYVAU-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.17
Rot. Bonds2

About methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate

methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate (PubChem CID 134847821) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate
PubChem CID134847821
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Namemethyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate
SMILESCOC(=O)C1=C(O)C(C)(C)CCC12C=C(c1ccccc1)c1ccccc12
InChIInChI=1S/C24H24O3/c1-23(2)13-14-24(20(21(23)25)22(26)27-3)15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)24/h4-12,15,25H,13-14H2,1-3H3
InChIKeyDLTWLVLWFQYVAU-UHFFFAOYSA-N
XLogP5.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate 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

dimethyl 1,4-dimethyl-5,6-diphenylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 13237280
cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate
CID 174872515
dimethyl 1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 15566984
1-methyl-1,3-diphenylindene
CID 11977257
dimethyl 1-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene-15,16-dicarboxylate
CID 623667
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
methyl 2,4-diphenylthiophene-3-carboxylate
CID 12733358
methyl 2-bromo-6-phenylbenzoate
CID 13352656
dimethyl 1-ethyl-2-methyl-5-phenylspiro[2H-azepine-3,9'-fluorene]-6,7-dicarboxylate
CID 56655254
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
methyl 2-amino-9,9-difluorofluorene-3-carboxylate
CID 164562157
methyl 4-[(1,1-dimethyl-3-phenylinden-5-yl)oxymethyl]benzoate
CID 54573558

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate?
The IUPAC name of methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate (CID 134847821) is methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate?
The canonical SMILES for methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate is COC(=O)C1=C(O)C(C)(C)CCC12C=C(c1ccccc1)c1ccccc12.
What is the InChIKey of methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate?
The InChIKey is DLTWLVLWFQYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-23(2)13-14-24(20(21(23)25)22(26)27-3)15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)24/h4-12,15,25H,13-14H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate?
methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3,3-dimethyl-3'-phenylspiro[cyclohexene-6,1'-indene]-1-carboxylate is sourced from PubChem (CID 134847821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).