[4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate

C60H67ClO10 — CID 101472464

IUPAC[4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate
SMILESCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc4ccc(OC(=O)c5ccc(OC(=O)c6ccc(OCCCCCCCCCCC)cc6)cc5)c(Cl)c4c3)cc2)cc1
InChIInChI=1S/C60H67ClO10/c1-3-5-7-9-11-13-15-17-19-41-66-49-30-23-45(24-31-49)57(62)68-51-34-27-47(28-35-51)59(64)71-55-40-29-44-21-22-48(43-54(44)56(55)61)60(65)70-53-38-36-52(37-39-53)69-58(63)46-25-32-50(33-26-46)67-42-20-18-16-14-12-10-8-6-4-2/h21-40,43H,3-20,41-42H2,1-2H3
InChIKeyRGBMKARWTGDCMU-UHFFFAOYSA-N
MW983.64 g/mol
LogP16.19
Rot. Bonds30

About [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate

[4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate (PubChem CID 101472464) has the molecular formula C60H67ClO10 and a molecular weight of 983.64 g/mol. Its IUPAC name is [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate
PubChem CID101472464
Molecular FormulaC60H67ClO10
Molecular Weight983.64 g/mol
Exact Mass982.44
IUPAC Name[4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate
SMILESCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc4ccc(OC(=O)c5ccc(OC(=O)c6ccc(OCCCCCCCCCCC)cc6)cc5)c(Cl)c4c3)cc2)cc1
InChIInChI=1S/C60H67ClO10/c1-3-5-7-9-11-13-15-17-19-41-66-49-30-23-45(24-31-49)57(62)68-51-34-27-47(28-35-51)59(64)71-55-40-29-44-21-22-48(43-54(44)56(55)61)60(65)70-53-38-36-52(37-39-53)69-58(63)46-25-32-50(33-26-46)67-42-20-18-16-14-12-10-8-6-4-2/h21-40,43H,3-20,41-42H2,1-2H3
InChIKeyRGBMKARWTGDCMU-UHFFFAOYSA-N
XLogP16.19
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.64
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-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

[4-(4-tetradecoxybenzoyl)oxyphenyl] 8-methyl-7-[4-(4-tetradecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate
CID 101472465
[4-[7-[4-(4-decoxybenzoyl)oxybenzoyl]oxy-8-methylnaphthalen-2-yl]oxycarbonylphenyl] 4-decoxybenzoate
CID 101381977
4-O-[2,4-dichloro-5-[4-(4-octoxyphenoxy)carbonylbenzoyl]oxyphenyl] 1-O-(4-octoxyphenyl) benzene-1,4-dicarboxylate
CID 101427828
(4-pentoxyphenyl) 4-hexoxybenzoate
CID 86218202
(4-hexoxyphenyl) 4-nonoxybenzoate
CID 14993431
(4-decoxyphenyl) 4-[7-[4-(4-decoxyphenoxy)carbonylphenoxy]heptoxy]benzoate
CID 102342037
[4-(4-undecoxybenzoyl)oxyphenyl] 4-undecoxybenzoate
CID 101367520
(4-heptoxyphenyl) 4-heptoxybenzoate
CID 71365288
[4-(4-octoxybenzoyl)oxyphenyl] 4-pentoxybenzoate
CID 100939275
(4-butoxyphenyl) 4-undecoxybenzoate
CID 21079902
4-O-[4-chloro-3-[4-(4-tetradecoxyphenoxy)carbonylbenzoyl]oxyphenyl] 1-O-(4-tetradecoxyphenyl) benzene-1,4-dicarboxylate
CID 102185339
[4-[2-(2,3,4,5,6-pentachlorophenoxy)ethoxy]phenyl] 4-octoxybenzoate
CID 43835969

Frequently Asked Questions

What is the IUPAC name of [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate?
The IUPAC name of [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate (CID 101472464) is [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate.
What is the SMILES notation for [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate?
The canonical SMILES for [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate is CCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc4ccc(OC(=O)c5ccc(OC(=O)c6ccc(OCCCCCCCCCCC)cc6)cc5)c(Cl)c4c3)cc2)cc1.
What is the InChIKey of [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate?
The InChIKey is RGBMKARWTGDCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H67ClO10/c1-3-5-7-9-11-13-15-17-19-41-66-49-30-23-45(24-31-49)57(62)68-51-34-27-47(28-35-51)59(64)71-55-40-29-44-21-22-48(43-54(44)56(55)61)60(65)70-53-38-36-52(37-39-53)69-58(63)46-25-32-50(33-26-46)67-42-20-18-16-14-12-10-8-6-4-2/h21-40,43H,3-20,41-42H2,1-2H3.
What are the key properties of [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate?
[4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate has a molecular weight of 983.64 g/mol, XLogP of 16.19, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-undecoxybenzoyl)oxyphenyl] 8-chloro-7-[4-(4-undecoxybenzoyl)oxybenzoyl]oxynaphthalene-2-carboxylate is sourced from PubChem (CID 101472464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).