ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate

C20H20O3 — CID 11312864

IUPACethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(C)cc2)c2ccccc2C1(C)O
InChIInChI=1S/C20H20O3/c1-4-23-19(21)18-17(14-11-9-13(2)10-12-14)15-7-5-6-8-16(15)20(18,3)22/h5-12,22H,4H2,1-3H3
InChIKeyHWXBHUBVEMKUGE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.58
Rot. Bonds3

About ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate

ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate (PubChem CID 11312864) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate
PubChem CID11312864
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Nameethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(C)cc2)c2ccccc2C1(C)O
InChIInChI=1S/C20H20O3/c1-4-23-19(21)18-17(14-11-9-13(2)10-12-14)15-7-5-6-8-16(15)20(18,3)22/h5-12,22H,4H2,1-3H3
InChIKeyHWXBHUBVEMKUGE-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122389598
ethyl 9-hydroxyfluorene-9-carboxylate
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ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
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ethyl benzoate;toluene
CID 23150750
ethyl 2-amino-5-(4-methylphenyl)-4,4-diphenylpyrrole-3-carboxylate
CID 101194388
ethyl 1-methylidene-3-phenylindene-2-carboxylate
CID 25050658
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 3a,8b-dihydroxy-4-oxo-2-(trifluoromethyl)indeno[1,2-b]furan-3-carboxylate
CID 2828335
ethyl (3aS,8bR)-3a,8b-dihydroxy-4-oxo-2-(trifluoromethyl)indeno[1,2-b]furan-3-carboxylate
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CID 172804692

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate?
The IUPAC name of ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate (CID 11312864) is ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate is CCOC(=O)C1=C(c2ccc(C)cc2)c2ccccc2C1(C)O.
What is the InChIKey of ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate?
The InChIKey is HWXBHUBVEMKUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-4-23-19(21)18-17(14-11-9-13(2)10-12-14)15-7-5-6-8-16(15)20(18,3)22/h5-12,22H,4H2,1-3H3.
What are the key properties of ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate?
ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)indene-2-carboxylate is sourced from PubChem (CID 11312864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).