methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate

C25H20O3 — CID 147669047

IUPACmethyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H20O3/c1-27-25(26)22-16-23(28-17-18-10-4-2-5-11-18)20-14-8-9-15-21(20)24(22)19-12-6-3-7-13-19/h2-16H,17H2,1H3
InChIKeyGMWCPKFSAULJJJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.87
Rot. Bonds5

About methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate

methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 147669047) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
PubChem CID147669047
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Namemethyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H20O3/c1-27-25(26)22-16-23(28-17-18-10-4-2-5-11-18)20-14-8-9-15-21(20)24(22)19-12-6-3-7-13-19/h2-16H,17H2,1H3
InChIKeyGMWCPKFSAULJJJ-UHFFFAOYSA-N
XLogP5.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
CID 14154188
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372
methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
CID 10043459

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate (CID 147669047) is methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate is COC(=O)c1cc(OCc2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is GMWCPKFSAULJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3/c1-27-25(26)22-16-23(28-17-18-10-4-2-5-11-18)20-14-8-9-15-21(20)24(22)19-12-6-3-7-13-19/h2-16H,17H2,1H3.
What are the key properties of methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate?
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 147669047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).