methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate

C19H15BrO3 — CID 172528451

IUPACmethyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate
SMILESCOC(=O)c1cc(Br)cc2cccc(OCc3ccccc3)c12
InChIInChI=1S/C19H15BrO3/c1-22-19(21)16-11-15(20)10-14-8-5-9-17(18(14)16)23-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyFHUNCODEBSHOCB-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.97
Rot. Bonds4

About methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate

methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate (PubChem CID 172528451) has the molecular formula C19H15BrO3 and a molecular weight of 371.23 g/mol. Its IUPAC name is methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate
PubChem CID172528451
Molecular FormulaC19H15BrO3
Molecular Weight371.23 g/mol
Exact Mass370.02
IUPAC Namemethyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate
SMILESCOC(=O)c1cc(Br)cc2cccc(OCc3ccccc3)c12
InChIInChI=1S/C19H15BrO3/c1-22-19(21)16-11-15(20)10-14-8-5-9-17(18(14)16)23-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyFHUNCODEBSHOCB-UHFFFAOYSA-N
XLogP4.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
dimethyl 3-[(3-bromophenyl)methoxy]benzene-1,2-dicarboxylate
CID 66906596
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604014
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
methyl 8-bromo-4-hydroxy-3,7-dimethoxy-5-phenylmethoxynaphthalene-2-carboxylate
CID 14815298

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate?
The IUPAC name of methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate (CID 172528451) is methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate is COC(=O)c1cc(Br)cc2cccc(OCc3ccccc3)c12.
What is the InChIKey of methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate?
The InChIKey is FHUNCODEBSHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO3/c1-22-19(21)16-11-15(20)10-14-8-5-9-17(18(14)16)23-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate?
methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate has a molecular weight of 371.23 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate is sourced from PubChem (CID 172528451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).