methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate

C21H18O5 — CID 10043459

IUPACmethyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)=O)c2cccc(OCc3ccccc3)c2c1
InChIInChI=1S/C21H18O5/c1-14(22)26-20-12-16(21(23)24-2)11-18-17(20)9-6-10-19(18)25-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3
InChIKeyFZCWGCLZDTZAPM-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.13
Rot. Bonds5

About methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate

methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 10043459) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
PubChem CID10043459
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Namemethyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)=O)c2cccc(OCc3ccccc3)c2c1
InChIInChI=1S/C21H18O5/c1-14(22)26-20-12-16(21(23)24-2)11-18-17(20)9-6-10-19(18)25-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3
InChIKeyFZCWGCLZDTZAPM-UHFFFAOYSA-N
XLogP4.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate
CID 10041568
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 8-bromo-4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 4059731
(3-fluoro-2-phenylmethoxyphenyl) acetate
CID 10491566
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
CID 90391979
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate (CID 10043459) is methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate is COC(=O)c1cc(OC(C)=O)c2cccc(OCc3ccccc3)c2c1.
What is the InChIKey of methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is FZCWGCLZDTZAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-14(22)26-20-12-16(21(23)24-2)11-18-17(20)9-6-10-19(18)25-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3.
What are the key properties of methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate?
methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 10043459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).