1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid

C23H24O4 — CID 11588635

IUPAC1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid
SMILESCOc1ccc2c(c1)C(O)(C1CCCCC1)C(C(=O)O)=C2c1ccccc1
InChIInChI=1S/C23H24O4/c1-27-17-12-13-18-19(14-17)23(26,16-10-6-3-7-11-16)21(22(24)25)20(18)15-8-4-2-5-9-15/h2,4-5,8-9,12-14,16,26H,3,6-7,10-11H2,1H3,(H,24,25)
InChIKeyXLEMWJMKUKOXHF-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.36
Rot. Bonds4

About 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid

1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid (PubChem CID 11588635) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid
PubChem CID11588635
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid
SMILESCOc1ccc2c(c1)C(O)(C1CCCCC1)C(C(=O)O)=C2c1ccccc1
InChIInChI=1S/C23H24O4/c1-27-17-12-13-18-19(14-17)23(26,16-10-6-3-7-11-16)21(22(24)25)20(18)15-8-4-2-5-9-15/h2,4-5,8-9,12-14,16,26H,3,6-7,10-11H2,1H3,(H,24,25)
InChIKeyXLEMWJMKUKOXHF-UHFFFAOYSA-N
XLogP4.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid?
The IUPAC name of 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid (CID 11588635) is 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid is COc1ccc2c(c1)C(O)(C1CCCCC1)C(C(=O)O)=C2c1ccccc1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid?
The InChIKey is XLEMWJMKUKOXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-27-17-12-13-18-19(14-17)23(26,16-10-6-3-7-11-16)21(22(24)25)20(18)15-8-4-2-5-9-15/h2,4-5,8-9,12-14,16,26H,3,6-7,10-11H2,1H3,(H,24,25).
What are the key properties of 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid?
1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid has a molecular weight of 364.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-6-methoxy-3-phenylindene-2-carboxylic acid is sourced from PubChem (CID 11588635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).