(4-methoxyphenyl) 4-pentoxybenzoate

C19H22O4 — CID 23011479

IUPAC(4-methoxyphenyl) 4-pentoxybenzoate
SMILESCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O4/c1-3-4-5-14-22-17-8-6-15(7-9-17)19(20)23-18-12-10-16(21-2)11-13-18/h6-13H,3-5,14H2,1-2H3
InChIKeyZMMOBYFQFILZLB-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.48
Rot. Bonds8

About (4-methoxyphenyl) 4-pentoxybenzoate

(4-methoxyphenyl) 4-pentoxybenzoate (PubChem CID 23011479) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-pentoxybenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-pentoxybenzoate
PubChem CID23011479
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(4-methoxyphenyl) 4-pentoxybenzoate
SMILESCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O4/c1-3-4-5-14-22-17-8-6-15(7-9-17)19(20)23-18-12-10-16(21-2)11-13-18/h6-13H,3-5,14H2,1-2H3
InChIKeyZMMOBYFQFILZLB-UHFFFAOYSA-N
XLogP4.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxyphenyl) 4-hexadecoxybenzoate
CID 4038467
[4-(4-octoxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 101022439
(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-butoxyphenyl) 4-undecoxybenzoate
CID 21079902
[4-(4-propoxyphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101111531
[4-(4-pentoxybenzoyl)phenyl] 4-pentoxybenzoate
CID 21133479
[4-[(4-methoxyphenyl)methoxycarbonyl]phenyl] 4-decoxybenzoate
CID 102503307

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-pentoxybenzoate?
The IUPAC name of (4-methoxyphenyl) 4-pentoxybenzoate (CID 23011479) is (4-methoxyphenyl) 4-pentoxybenzoate.
What is the SMILES notation for (4-methoxyphenyl) 4-pentoxybenzoate?
The canonical SMILES for (4-methoxyphenyl) 4-pentoxybenzoate is CCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-pentoxybenzoate?
The InChIKey is ZMMOBYFQFILZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-4-5-14-22-17-8-6-15(7-9-17)19(20)23-18-12-10-16(21-2)11-13-18/h6-13H,3-5,14H2,1-2H3.
What are the key properties of (4-methoxyphenyl) 4-pentoxybenzoate?
(4-methoxyphenyl) 4-pentoxybenzoate has a molecular weight of 314.38 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-pentoxybenzoate is sourced from PubChem (CID 23011479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).