(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate

C25H18O5 — CID 101418946

IUPAC(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc(OC(=O)c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C25H18O5/c26-22-11-8-19-14-21(7-6-20(19)15-22)25(28)30-23-12-9-18(10-13-23)24(27)29-16-17-4-2-1-3-5-17/h1-15,26H,16H2
InChIKeyRARKBXZNGCXHPZ-UHFFFAOYSA-N
MW398.41 g/mol
LogP5.12
Rot. Bonds5

About (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate

(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate (PubChem CID 101418946) has the molecular formula C25H18O5 and a molecular weight of 398.41 g/mol. Its IUPAC name is (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate
PubChem CID101418946
Molecular FormulaC25H18O5
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Name(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc(OC(=O)c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C25H18O5/c26-22-11-8-19-14-21(7-6-20(19)15-22)25(28)30-23-12-9-18(10-13-23)24(27)29-16-17-4-2-1-3-5-17/h1-15,26H,16H2
InChIKeyRARKBXZNGCXHPZ-UHFFFAOYSA-N
XLogP5.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate
CID 118029962
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672
benzyl 4-acetyloxybenzoate
CID 734064
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
CID 142376943
benzyl 3-hydroxybenzoate
CID 11736317
(4-phenylmethoxycarbonylphenyl) 3-methyl-4-nitrobenzoate
CID 1194547
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
benzyl benzoate
CID 2345

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate (CID 101418946) is (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate is O=C(OCc1ccccc1)c1ccc(OC(=O)c2ccc3cc(O)ccc3c2)cc1.
What is the InChIKey of (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate?
The InChIKey is RARKBXZNGCXHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O5/c26-22-11-8-19-14-21(7-6-20(19)15-22)25(28)30-23-12-9-18(10-13-23)24(27)29-16-17-4-2-1-3-5-17/h1-15,26H,16H2.
What are the key properties of (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate?
(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate has a molecular weight of 398.41 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 101418946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).