methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate

C29H32O3 — CID 86748479

IUPACmethyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccccc1OCc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H32O3/c1-28(2)16-17-29(3,4)25-18-20(14-15-24(25)28)19-32-26-13-9-8-11-22(26)21-10-6-7-12-23(21)27(30)31-5/h6-15,18H,16-17,19H2,1-5H3
InChIKeyMWQWYVSGCSPVKM-UHFFFAOYSA-N
MW428.57 g/mol
LogP7.07
Rot. Bonds5

About methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate

methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate (PubChem CID 86748479) has the molecular formula C29H32O3 and a molecular weight of 428.57 g/mol. Its IUPAC name is methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate
PubChem CID86748479
Molecular FormulaC29H32O3
Molecular Weight428.57 g/mol
Exact Mass428.24
IUPAC Namemethyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccccc1OCc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H32O3/c1-28(2)16-17-29(3,4)25-18-20(14-15-24(25)28)19-32-26-13-9-8-11-22(26)21-10-6-7-12-23(21)27(30)31-5/h6-15,18H,16-17,19H2,1-5H3
InChIKeyMWQWYVSGCSPVKM-UHFFFAOYSA-N
XLogP7.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate 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

1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
CID 23193647
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]benzoate
CID 22626508
methyl 2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoate
CID 158069547
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
CID 18357939
benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
CID 18792286
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 21185946
methyl 2-hexoxy-3-(2-phenylmethoxyphenyl)benzoate
CID 67882728

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate?
The IUPAC name of methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate (CID 86748479) is methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate.
What is the SMILES notation for methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate?
The canonical SMILES for methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate is COC(=O)c1ccccc1-c1ccccc1OCc1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate?
The InChIKey is MWQWYVSGCSPVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O3/c1-28(2)16-17-29(3,4)25-18-20(14-15-24(25)28)19-32-26-13-9-8-11-22(26)21-10-6-7-12-23(21)27(30)31-5/h6-15,18H,16-17,19H2,1-5H3.
What are the key properties of methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate?
methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate has a molecular weight of 428.57 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate is sourced from PubChem (CID 86748479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).