(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate

C24H32O4 — CID 84820404

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)(O)C(=O)OC3CC(C)CCC3C(C)C)ccc2c1
InChIInChI=1S/C24H32O4/c1-15(2)21-11-6-16(3)12-22(21)28-23(25)24(4,26)19-9-7-18-14-20(27-5)10-8-17(18)13-19/h7-10,13-16,21-22,26H,6,11-12H2,1-5H3
InChIKeyDVPWCKBTYPHEMR-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.06
Rot. Bonds5

About (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate

(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 84820404) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID84820404
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)(O)C(=O)OC3CC(C)CCC3C(C)C)ccc2c1
InChIInChI=1S/C24H32O4/c1-15(2)21-11-6-16(3)12-22(21)28-23(25)24(4,26)19-9-7-18-14-20(27-5)10-8-17(18)13-19/h7-10,13-16,21-22,26H,6,11-12H2,1-5H3
InChIKeyDVPWCKBTYPHEMR-UHFFFAOYSA-N
XLogP5.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-(4-methoxyphenyl)propanoate
CID 102076289
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate
CID 102076287
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromo-2-methylpropanoate
CID 172643840
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methoxypyridin-1-ium-1-yl)acetate
CID 58592321
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62822105
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxy-2-methylbutanoate
CID 10999687
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,4R)-5-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 67633199
(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 75252742
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] naphthalene-2,3-dicarboxylate
CID 10390964
[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2,2-trifluoroacetate
CID 26791163
[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] 3-hydroxy-3-phenylbutanoate
CID 149190489
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-4,4,4-trifluoro-3-(4-methoxyanilino)butanoate
CID 11058479

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate (CID 84820404) is (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)(O)C(=O)OC3CC(C)CCC3C(C)C)ccc2c1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is DVPWCKBTYPHEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-15(2)21-11-6-16(3)12-22(21)28-23(25)24(4,26)19-9-7-18-14-20(27-5)10-8-17(18)13-19/h7-10,13-16,21-22,26H,6,11-12H2,1-5H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 384.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 84820404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).