methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate

C25H30O4 — CID 142634748

IUPACmethyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
SMILESCCOc1cc2c(cc1C(=O)c1ccc(C(=O)OC)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30O4/c1-7-29-21-15-20-19(24(2,3)12-13-25(20,4)5)14-18(21)22(26)16-8-10-17(11-9-16)23(27)28-6/h8-11,14-15H,7,12-13H2,1-6H3
InChIKeyZUXVKPQTTIOGBH-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.45
Rot. Bonds5

About methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate

methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate (PubChem CID 142634748) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
PubChem CID142634748
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Namemethyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
SMILESCCOc1cc2c(cc1C(=O)c1ccc(C(=O)OC)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30O4/c1-7-29-21-15-20-19(24(2,3)12-13-25(20,4)5)14-18(21)22(26)16-8-10-17(11-9-16)23(27)28-6/h8-11,14-15H,7,12-13H2,1-6H3
InChIKeyZUXVKPQTTIOGBH-UHFFFAOYSA-N
XLogP5.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate with MolForge

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Related Compounds

methyl 4-[C-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-methylcarbonimidoyl]benzoate
CID 143004657
4-(7-ethoxy-4,4-dimethyl-2,3-dihydrochromene-6-carbonyl)benzoic acid
CID 127024144
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 4-(3,5,5,8,8-pentamethyl-4-nitro-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 143004624
4-(3-ethoxy-1-fluoro-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
CID 143004648
methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 54559623
methyl 4-[1-(3-chloro-5,5-dimethylspiro[6,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)ethenyl]benzoate
CID 152899040
methyl 4-(6,6,9,9-tetramethyl-4-oxo-7,8-dihydrobenzo[g]chromen-2-yl)benzoate
CID 14052609
methyl 4-(4-methoxy-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]quinolin-2-yl)benzoate
CID 10046765
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
methyl 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrol-2-yl]benzoate
CID 14726514
methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 21185946

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate?
The IUPAC name of methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate (CID 142634748) is methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate.
What is the SMILES notation for methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate?
The canonical SMILES for methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate is CCOc1cc2c(cc1C(=O)c1ccc(C(=O)OC)cc1)C(C)(C)CCC2(C)C.
What is the InChIKey of methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate?
The InChIKey is ZUXVKPQTTIOGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-7-29-21-15-20-19(24(2,3)12-13-25(20,4)5)14-18(21)22(26)16-8-10-17(11-9-16)23(27)28-6/h8-11,14-15H,7,12-13H2,1-6H3.
What are the key properties of methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate?
methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate has a molecular weight of 394.51 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate is sourced from PubChem (CID 142634748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).