methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate

C20H18O4 — CID 54308363

IUPACmethyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(OCc3ccccc3)ccc2cc1OC
InChIInChI=1S/C20H18O4/c1-22-19-12-15-8-9-17(24-13-14-6-4-3-5-7-14)10-16(15)11-18(19)20(21)23-2/h3-12H,13H2,1-2H3
InChIKeySJDBKJADEXCSIZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.21
Rot. Bonds5

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

methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 54308363) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
PubChem CID54308363
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namemethyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(OCc3ccccc3)ccc2cc1OC
InChIInChI=1S/C20H18O4/c1-22-19-12-15-8-9-17(24-13-14-6-4-3-5-7-14)10-16(15)11-18(19)20(21)23-2/h3-12H,13H2,1-2H3
InChIKeySJDBKJADEXCSIZ-UHFFFAOYSA-N
XLogP4.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501104
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
2-(2-methoxycarbonyl-6-phenylmethoxynaphthalen-1-yl)acetic acid
CID 54112709
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
methyl 4-phenylmethoxy-2-(trifluoromethylsulfonyloxy)benzoate
CID 10739136
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate (CID 54308363) is methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate is COC(=O)c1cc2cc(OCc3ccccc3)ccc2cc1OC.
What is the InChIKey of methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is SJDBKJADEXCSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-22-19-12-15-8-9-17(24-13-14-6-4-3-5-7-14)10-16(15)11-18(19)20(21)23-2/h3-12H,13H2,1-2H3.
What are the key properties of methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate?
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 54308363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).