[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate

C29H20O5 — CID 89329145

IUPAC[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
SMILESCc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(O)ccc5c4)cc3)ccc2c1
InChIInChI=1S/C29H20O5/c1-18-2-3-20-15-23(6-4-19(20)14-18)28(31)33-26-10-12-27(13-11-26)34-29(32)24-7-5-22-17-25(30)9-8-21(22)16-24/h2-17,30H,1H3
InChIKeyYVVTYPPTZGGUQE-UHFFFAOYSA-N
MW448.47 g/mol
LogP6.45
Rot. Bonds4

About [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate

[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate (PubChem CID 89329145) has the molecular formula C29H20O5 and a molecular weight of 448.47 g/mol. Its IUPAC name is [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Name[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
PubChem CID89329145
Molecular FormulaC29H20O5
Molecular Weight448.47 g/mol
Exact Mass448.13
IUPAC Name[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
SMILESCc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(O)ccc5c4)cc3)ccc2c1
InChIInChI=1S/C29H20O5/c1-18-2-3-20-15-23(6-4-19(20)14-18)28(31)33-26-10-12-27(13-11-26)34-29(32)24-7-5-22-17-25(30)9-8-21(22)16-24/h2-17,30H,1H3
InChIKeyYVVTYPPTZGGUQE-UHFFFAOYSA-N
XLogP6.45
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
CID 159499865
CID 159499865
(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate
CID 101418946
[(3R,3aR,6R,6aR)-3-[4-(6-methylnaphthalene-2-carbonyl)oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 6-methylnaphthalene-2-carboxylate
CID 58232619
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate
CID 118029962
[4-[[3-[4-[(6-hydroxynaphthalene-2-carbonyl)amino]phenoxy]carbonylbenzoyl]amino]phenyl] 6-hydroxynaphthalene-2-carboxylate
CID 58445021

Frequently Asked Questions

What is the IUPAC name of [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate?
The IUPAC name of [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate (CID 89329145) is [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate.
What is the SMILES notation for [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate?
The canonical SMILES for [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate is Cc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(O)ccc5c4)cc3)ccc2c1.
What is the InChIKey of [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate?
The InChIKey is YVVTYPPTZGGUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O5/c1-18-2-3-20-15-23(6-4-19(20)14-18)28(31)33-26-10-12-27(13-11-26)34-29(32)24-7-5-22-17-25(30)9-8-21(22)16-24/h2-17,30H,1H3.
What are the key properties of [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate?
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate has a molecular weight of 448.47 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 89329145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).