naphthalen-2-yl 4-hexoxybenzoate

C23H24O3 — CID 23011426

IUPACnaphthalen-2-yl 4-hexoxybenzoate
SMILESCCCCCCOc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24O3/c1-2-3-4-7-16-25-21-13-11-19(12-14-21)23(24)26-22-15-10-18-8-5-6-9-20(18)17-22/h5-6,8-15,17H,2-4,7,16H2,1H3
InChIKeyMQVUQRUWMJTFLA-UHFFFAOYSA-N
MW348.44 g/mol
LogP6.02
Rot. Bonds8

About naphthalen-2-yl 4-hexoxybenzoate

naphthalen-2-yl 4-hexoxybenzoate (PubChem CID 23011426) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is naphthalen-2-yl 4-hexoxybenzoate.

Molecular Properties

Compound Namenaphthalen-2-yl 4-hexoxybenzoate
PubChem CID23011426
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Namenaphthalen-2-yl 4-hexoxybenzoate
SMILESCCCCCCOc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24O3/c1-2-3-4-7-16-25-21-13-11-19(12-14-21)23(24)26-22-15-10-18-8-5-6-9-20(18)17-22/h5-6,8-15,17H,2-4,7,16H2,1H3
InChIKeyMQVUQRUWMJTFLA-UHFFFAOYSA-N
XLogP6.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[4-[4-[5-[4-[4-[3-[4-(4-octadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenoxy]carbonylphenoxy]pentoxy]benzoyl]oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-octadecoxybenzoate
CID 102574900
[4-[3-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-dodecoxybenzoate
CID 102071974
[4-(4-octoxybenzoyl)oxyphenyl] 4-pentoxybenzoate
CID 100939275
(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-pentoxyphenyl) 4-hexoxybenzoate
CID 86218202
(4-hexoxyphenyl) 4-nonoxybenzoate
CID 14993431
(4-butoxyphenyl) 4-undecoxybenzoate
CID 21079902
[3-[4-(4-undecoxyphenyl)benzoyl]oxyphenyl] 4-(4-undecoxyphenyl)benzoate
CID 132510534
[4-(4-octoxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 101022439
(4-methoxyphenyl) 4-hexadecoxybenzoate
CID 4038467

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 4-hexoxybenzoate?
The IUPAC name of naphthalen-2-yl 4-hexoxybenzoate (CID 23011426) is naphthalen-2-yl 4-hexoxybenzoate.
What is the SMILES notation for naphthalen-2-yl 4-hexoxybenzoate?
The canonical SMILES for naphthalen-2-yl 4-hexoxybenzoate is CCCCCCOc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of naphthalen-2-yl 4-hexoxybenzoate?
The InChIKey is MQVUQRUWMJTFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-2-3-4-7-16-25-21-13-11-19(12-14-21)23(24)26-22-15-10-18-8-5-6-9-20(18)17-22/h5-6,8-15,17H,2-4,7,16H2,1H3.
What are the key properties of naphthalen-2-yl 4-hexoxybenzoate?
naphthalen-2-yl 4-hexoxybenzoate has a molecular weight of 348.44 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 4-hexoxybenzoate is sourced from PubChem (CID 23011426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).