2-(naphthalen-2-ylmethoxycarbonyl)benzoate

C19H13O4- — CID 71333612

IUPAC2-(naphthalen-2-ylmethoxycarbonyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)OCc1ccc2ccccc2c1
InChIInChI=1S/C19H14O4/c20-18(21)16-7-3-4-8-17(16)19(22)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,20,21)/p-1
InChIKeyLEMLQCGDUPXFQP-UHFFFAOYSA-M
MW305.31 g/mol
LogP2.56
Rot. Bonds4

About 2-(naphthalen-2-ylmethoxycarbonyl)benzoate

2-(naphthalen-2-ylmethoxycarbonyl)benzoate (PubChem CID 71333612) has the molecular formula C19H13O4- and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethoxycarbonyl)benzoate.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethoxycarbonyl)benzoate
PubChem CID71333612
Molecular FormulaC19H13O4-
Molecular Weight305.31 g/mol
Exact Mass305.08
IUPAC Name2-(naphthalen-2-ylmethoxycarbonyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)OCc1ccc2ccccc2c1
InChIInChI=1S/C19H14O4/c20-18(21)16-7-3-4-8-17(16)19(22)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,20,21)/p-1
InChIKeyLEMLQCGDUPXFQP-UHFFFAOYSA-M
XLogP2.56
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
naphthalen-2-ylmethyl 3-methylbenzoate
CID 976134
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
CID 159481428
CID 159481428
naphthalen-2-ylmethyl 4-methylpentanoate
CID 135060928
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
2-(2-hydroxyethoxycarbonyl)benzoate
CID 7034609
(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 163643445
sodium 2-naphthalen-2-ylacetate
CID 23688045
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
1-O-(2-methylpropyl) 3-O-(naphthalen-2-ylmethyl) 2,2-dimethylpropanedioate
CID 91717272
5-O-(2-methylpropyl) 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717144

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethoxycarbonyl)benzoate?
The IUPAC name of 2-(naphthalen-2-ylmethoxycarbonyl)benzoate (CID 71333612) is 2-(naphthalen-2-ylmethoxycarbonyl)benzoate.
What is the SMILES notation for 2-(naphthalen-2-ylmethoxycarbonyl)benzoate?
The canonical SMILES for 2-(naphthalen-2-ylmethoxycarbonyl)benzoate is O=C([O-])c1ccccc1C(=O)OCc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethoxycarbonyl)benzoate?
The InChIKey is LEMLQCGDUPXFQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14O4/c20-18(21)16-7-3-4-8-17(16)19(22)23-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,20,21)/p-1.
What are the key properties of 2-(naphthalen-2-ylmethoxycarbonyl)benzoate?
2-(naphthalen-2-ylmethoxycarbonyl)benzoate has a molecular weight of 305.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethoxycarbonyl)benzoate is sourced from PubChem (CID 71333612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).