(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate

C20H16O5 — CID 895058

IUPAC(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C20H16O5/c1-24-19(22)14-8-6-13(7-9-14)12-25-20(23)17-10-15-4-2-3-5-16(15)11-18(17)21/h2-11,21H,12H2,1H3
InChIKeyOMPOIZHOTVEXMO-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.69
Rot. Bonds4

About (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate

(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate (PubChem CID 895058) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
PubChem CID895058
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C20H16O5/c1-24-19(22)14-8-6-13(7-9-14)12-25-20(23)17-10-15-4-2-3-5-16(15)11-18(17)21/h2-11,21H,12H2,1H3
InChIKeyOMPOIZHOTVEXMO-UHFFFAOYSA-N
XLogP3.69
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 977864
(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 7891532
methyl 4-[3-(3-hydroxynaphthalen-2-yl)-3-oxopropanoyl]benzoate
CID 58209954
benzene-1,4-diamine;7-O-benzyl 2-O-methyl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 70005691
(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2371734
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2488136
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
(4-methoxycarbonylphenyl)methyl 2-bromo-5-methoxybenzoate
CID 2637273
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate (CID 895058) is (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is OMPOIZHOTVEXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-24-19(22)14-8-6-13(7-9-14)12-25-20(23)17-10-15-4-2-3-5-16(15)11-18(17)21/h2-11,21H,12H2,1H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 336.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 895058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).