(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate

C22H18O5 — CID 19972770

IUPAC(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate
SMILESCCC(=O)c1cccc(C(=O)OC)c1OC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H18O5/c1-3-19(23)17-12-7-13-18(21(24)26-2)20(17)27-22(25)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,3H2,1-2H3
InChIKeyOOYRBSISGYLJAT-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.44
Rot. Bonds5

About (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate

(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate (PubChem CID 19972770) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate.

Molecular Properties

Compound Name(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate
PubChem CID19972770
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate
SMILESCCC(=O)c1cccc(C(=O)OC)c1OC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H18O5/c1-3-19(23)17-12-7-13-18(21(24)26-2)20(17)27-22(25)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,3H2,1-2H3
InChIKeyOOYRBSISGYLJAT-UHFFFAOYSA-N
XLogP4.44
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.44
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 naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate
CID 19972787
methyl 2-amino-3-propanoylbenzoate
CID 134648415
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylpropan-1-one
CID 174507972
methyl 2-fluoro-3-propanoylbenzoate
CID 178189126
(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
CID 1218310
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
(2,6-ditert-butyl-4-methoxyphenyl) naphthalene-1-carboxylate
CID 11014638
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008

Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate?
The IUPAC name of (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate (CID 19972770) is (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate.
What is the SMILES notation for (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate?
The canonical SMILES for (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate is CCC(=O)c1cccc(C(=O)OC)c1OC(=O)c1cccc2ccccc12.
What is the InChIKey of (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate?
The InChIKey is OOYRBSISGYLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-3-19(23)17-12-7-13-18(21(24)26-2)20(17)27-22(25)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,3H2,1-2H3.
What are the key properties of (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate?
(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate is sourced from PubChem (CID 19972770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).