methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate

C20H16O4 — CID 154942920

IUPACmethyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2OC(C)=O)c2ccccc2c1
InChIInChI=1S/C20H16O4/c1-13(21)24-19-10-6-5-9-17(19)18-12-15(20(22)23-2)11-14-7-3-4-8-16(14)18/h3-12H,1-2H3
InChIKeyNZDZLVIDKRSMAU-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.22
Rot. Bonds3

About methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate

methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate (PubChem CID 154942920) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate
PubChem CID154942920
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namemethyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2OC(C)=O)c2ccccc2c1
InChIInChI=1S/C20H16O4/c1-13(21)24-19-10-6-5-9-17(19)18-12-15(20(22)23-2)11-14-7-3-4-8-16(14)18/h3-12H,1-2H3
InChIKeyNZDZLVIDKRSMAU-UHFFFAOYSA-N
XLogP4.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
CID 11637956
methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
CID 135017130
methyl 4-acetyloxy-6-bromonaphthalene-2-carboxylate
CID 73013760
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
methyl 4-(hydroxymethyl)naphthalene-2-carboxylate
CID 12749200
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883
[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate
CID 123134091
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
CID 10043459
methyl 3,5-diacetyloxybenzoate
CID 7474700
methyl 1-phenylphenanthrene-3-carboxylate
CID 14065000
methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate
CID 155685944

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate (CID 154942920) is methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate is COC(=O)c1cc(-c2ccccc2OC(C)=O)c2ccccc2c1.
What is the InChIKey of methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate?
The InChIKey is NZDZLVIDKRSMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-13(21)24-19-10-6-5-9-17(19)18-12-15(20(22)23-2)11-14-7-3-4-8-16(14)18/h3-12H,1-2H3.
What are the key properties of methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate?
methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate has a molecular weight of 320.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 154942920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).