(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate

C23H22O4 — CID 19221107

IUPAC(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)Oc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22O4/c1-25-20-10-7-18(8-11-20)9-16-23(24)27-22-14-12-21(13-15-22)26-17-19-5-3-2-4-6-19/h2-8,10-15H,9,16-17H2,1H3
InChIKeyBAHHRPJGKHROMX-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.81
Rot. Bonds8

About (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate

(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate (PubChem CID 19221107) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
PubChem CID19221107
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)Oc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22O4/c1-25-20-10-7-18(8-11-20)9-16-23(24)27-22-14-12-21(13-15-22)26-17-19-5-3-2-4-6-19/h2-8,10-15H,9,16-17H2,1H3
InChIKeyBAHHRPJGKHROMX-UHFFFAOYSA-N
XLogP4.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
CID 70464798
CID 70464798
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
[(1R)-1-(4-methoxyphenyl)pent-4-enyl] 3-(4-phenylmethoxyphenyl)propanoate
CID 102113893
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
(4-fluorophenyl) 3-phenylpropanoate
CID 562084
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate?
The IUPAC name of (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate (CID 19221107) is (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)Oc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate?
The InChIKey is BAHHRPJGKHROMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-25-20-10-7-18(8-11-20)9-16-23(24)27-22-14-12-21(13-15-22)26-17-19-5-3-2-4-6-19/h2-8,10-15H,9,16-17H2,1H3.
What are the key properties of (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate?
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate has a molecular weight of 362.43 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 19221107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).