(4-hexoxyphenyl) 4-aminobenzoate

C19H23NO3 — CID 54274650

IUPAC(4-hexoxyphenyl) 4-aminobenzoate
SMILESCCCCCCOc1ccc(OC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-2-3-4-5-14-22-17-10-12-18(13-11-17)23-19(21)15-6-8-16(20)9-7-15/h6-13H,2-5,14,20H2,1H3
InChIKeyRMONMWJPAMPMGQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.45
Rot. Bonds8

About (4-hexoxyphenyl) 4-aminobenzoate

(4-hexoxyphenyl) 4-aminobenzoate (PubChem CID 54274650) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4-hexoxyphenyl) 4-aminobenzoate.

Molecular Properties

Compound Name(4-hexoxyphenyl) 4-aminobenzoate
PubChem CID54274650
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(4-hexoxyphenyl) 4-aminobenzoate
SMILESCCCCCCOc1ccc(OC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-2-3-4-5-14-22-17-10-12-18(13-11-17)23-19(21)15-6-8-16(20)9-7-15/h6-13H,2-5,14,20H2,1H3
InChIKeyRMONMWJPAMPMGQ-UHFFFAOYSA-N
XLogP4.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-butoxyphenyl) 4-aminobenzoate
CID 142944256
(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-pentoxyphenyl) 4-hexoxybenzoate
CID 86218202
(4-hexoxyphenyl) 4-nonoxybenzoate
CID 14993431
[4-[5-[4-(4-aminobenzoyl)oxyphenoxy]pentoxy]phenyl] 4-aminobenzoate
CID 144631711
(4-butoxyphenyl) 4-undecoxybenzoate
CID 21079902
[4-[6-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyhexoxycarbonyl]phenyl] 4-dodecoxybenzoate
CID 101359689
[4-(4-propoxyphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101111531
[4-[4-[4-[4-(4-tetradecoxybenzoyl)oxybenzoyl]oxybenzoyl]phenoxy]carbonylphenyl] 4-tetradecoxybenzoate
CID 102299008

Frequently Asked Questions

What is the IUPAC name of (4-hexoxyphenyl) 4-aminobenzoate?
The IUPAC name of (4-hexoxyphenyl) 4-aminobenzoate (CID 54274650) is (4-hexoxyphenyl) 4-aminobenzoate.
What is the SMILES notation for (4-hexoxyphenyl) 4-aminobenzoate?
The canonical SMILES for (4-hexoxyphenyl) 4-aminobenzoate is CCCCCCOc1ccc(OC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of (4-hexoxyphenyl) 4-aminobenzoate?
The InChIKey is RMONMWJPAMPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-3-4-5-14-22-17-10-12-18(13-11-17)23-19(21)15-6-8-16(20)9-7-15/h6-13H,2-5,14,20H2,1H3.
What are the key properties of (4-hexoxyphenyl) 4-aminobenzoate?
(4-hexoxyphenyl) 4-aminobenzoate has a molecular weight of 313.40 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexoxyphenyl) 4-aminobenzoate is sourced from PubChem (CID 54274650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).