methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate

C19H15BrO3 — CID 166501120

IUPACmethyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(Br)ccc2cc1OCc1ccccc1
InChIInChI=1S/C19H15BrO3/c1-22-19(21)17-10-15-9-16(20)8-7-14(15)11-18(17)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyGYVZRCFBXICZGY-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.97
Rot. Bonds4

About methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate

methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 166501120) has the molecular formula C19H15BrO3 and a molecular weight of 371.23 g/mol. Its IUPAC name is methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
PubChem CID166501120
Molecular FormulaC19H15BrO3
Molecular Weight371.23 g/mol
Exact Mass370.02
IUPAC Namemethyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(Br)ccc2cc1OCc1ccccc1
InChIInChI=1S/C19H15BrO3/c1-22-19(21)17-10-15-9-16(20)8-7-14(15)11-18(17)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyGYVZRCFBXICZGY-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

Analyze methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate 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

methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501104
methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate
CID 172528451
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
2-bromo-6-phenylmethoxynaphthalene
CID 640595
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 86663009
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 5-amino-2-[(4-bromophenyl)methoxy]benzoate
CID 82824196
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate (CID 166501120) is methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate is COC(=O)c1cc2cc(Br)ccc2cc1OCc1ccccc1.
What is the InChIKey of methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is GYVZRCFBXICZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO3/c1-22-19(21)17-10-15-9-16(20)8-7-14(15)11-18(17)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate?
methyl 7-bromo-3-phenylmethoxynaphthalene-2-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 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 166501120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).