ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate

C24H26O5 — CID 67625063

IUPACethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1(O)CCC(C)(C)c2ccc(C=COC(=O)c3ccccc3)cc21
InChIInChI=1S/C24H26O5/c1-4-28-22(26)24(27)14-13-23(2,3)19-11-10-17(16-20(19)24)12-15-29-21(25)18-8-6-5-7-9-18/h5-12,15-16,27H,4,13-14H2,1-3H3
InChIKeyWQYWDVUPOWJMJF-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.34
Rot. Bonds5

About ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate

ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate (PubChem CID 67625063) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate
PubChem CID67625063
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Nameethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1(O)CCC(C)(C)c2ccc(C=COC(=O)c3ccccc3)cc21
InChIInChI=1S/C24H26O5/c1-4-28-22(26)24(27)14-13-23(2,3)19-11-10-17(16-20(19)24)12-15-29-21(25)18-8-6-5-7-9-18/h5-12,15-16,27H,4,13-14H2,1-3H3
InChIKeyWQYWDVUPOWJMJF-UHFFFAOYSA-N
XLogP4.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-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

2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethenyl benzoate
CID 67553733
ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]prop-2-enoate
CID 70183438
[4,4-dimethoxy-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-1-en-2-yl] benzoate
CID 67724004
ethyl 5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylideneamino]thiophene-3-carboxylate
CID 67770395
ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
CID 18357939
[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]phosphonic acid
CID 70356504
methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
CID 123594241
4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoyloxy]benzoic acid
CID 70214603
ethyl 4-[2-[5,5,8,8-tetramethyl-3-[(4-methylphenyl)methyl]-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate
CID 69136065
2-(diethylamino)ethyl 4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 69040550
ethyl 3-[(2Z,4E)-1-oxo-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexa-2,4-dien-2-yl]benzoate
CID 19920651
ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate
CID 70183425

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate?
The IUPAC name of ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate (CID 67625063) is ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate?
The canonical SMILES for ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate is CCOC(=O)C1(O)CCC(C)(C)c2ccc(C=COC(=O)c3ccccc3)cc21.
What is the InChIKey of ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate?
The InChIKey is WQYWDVUPOWJMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5/c1-4-28-22(26)24(27)14-13-23(2,3)19-11-10-17(16-20(19)24)12-15-29-21(25)18-8-6-5-7-9-18/h5-12,15-16,27H,4,13-14H2,1-3H3.
What are the key properties of ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate?
ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2-benzoyloxyethenyl)-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate is sourced from PubChem (CID 67625063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).