methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate

C23H26O4 — CID 54559623

IUPACmethyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2ccc3c(c2)C(C)(OC)CCC3(C)C)cc1
InChIInChI=1S/C23H26O4/c1-22(2)12-13-23(3,27-5)19-14-17(10-11-18(19)22)20(24)15-6-8-16(9-7-15)21(25)26-4/h6-11,14H,12-13H2,1-5H3
InChIKeyZPPYQCXFFRKDDR-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.64
Rot. Bonds4

About methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate

methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate (PubChem CID 54559623) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
PubChem CID54559623
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Namemethyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2ccc3c(c2)C(C)(OC)CCC3(C)C)cc1
InChIInChI=1S/C23H26O4/c1-22(2)12-13-23(3,27-5)19-14-17(10-11-18(19)22)20(24)15-6-8-16(9-7-15)21(25)26-4/h6-11,14H,12-13H2,1-5H3
InChIKeyZPPYQCXFFRKDDR-UHFFFAOYSA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl (E)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]prop-2-enoate
CID 121474344
methyl 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrol-2-yl]benzoate
CID 14726514
methyl 4-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 142634748
methyl 6-[(E)-N-methoxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylate
CID 10622500
methyl 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan-3-yl]benzoate
CID 14726501
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide
CID 14327181
methyl 1,1,3,3-tetramethyl-2-benzofuran-5-carboxylate
CID 84820512
methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate
CID 10649845
methyl 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynylsulfonyl]benzoate
CID 22641086
methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 135239958

Frequently Asked Questions

What is the IUPAC name of methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate?
The IUPAC name of methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate (CID 54559623) is methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate.
What is the SMILES notation for methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate?
The canonical SMILES for methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate is COC(=O)c1ccc(C(=O)c2ccc3c(c2)C(C)(OC)CCC3(C)C)cc1.
What is the InChIKey of methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate?
The InChIKey is ZPPYQCXFFRKDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-22(2)12-13-23(3,27-5)19-14-17(10-11-18(19)22)20(24)15-6-8-16(9-7-15)21(25)26-4/h6-11,14H,12-13H2,1-5H3.
What are the key properties of methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate?
methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate has a molecular weight of 366.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate is sourced from PubChem (CID 54559623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).