methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate

C23H22O4 — CID 57078179

IUPACmethyl 2-[3-(3-phenylphenoxy)propoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-25-23(24)21-13-5-6-14-22(21)27-16-8-15-26-20-12-7-11-19(17-20)18-9-3-2-4-10-18/h2-7,9-14,17H,8,15-16H2,1H3
InChIKeyZNGGSDJWWGNDON-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.99
Rot. Bonds8

About methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate

methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate (PubChem CID 57078179) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(3-phenylphenoxy)propoxy]benzoate
PubChem CID57078179
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Namemethyl 2-[3-(3-phenylphenoxy)propoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-25-23(24)21-13-5-6-14-22(21)27-16-8-15-26-20-12-7-11-19(17-20)18-9-3-2-4-10-18/h2-7,9-14,17H,8,15-16H2,1H3
InChIKeyZNGGSDJWWGNDON-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]phenyl]benzoate
CID 67823839
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
methyl 2-(4-bromobutoxy)benzoate
CID 11066070
methyl 2-(2-aminoethoxy)benzoate
CID 14273287
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
3,5-bis[3-(3-phenylphenoxy)propoxy]benzoic acid
CID 18951535
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
methyl 3,5-bis[3-(4-phenylphenoxy)propoxy]benzoate
CID 15233464

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate?
The IUPAC name of methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate (CID 57078179) is methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate.
What is the SMILES notation for methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate?
The canonical SMILES for methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate is COC(=O)c1ccccc1OCCCOc1cccc(-c2ccccc2)c1.
What is the InChIKey of methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate?
The InChIKey is ZNGGSDJWWGNDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-25-23(24)21-13-5-6-14-22(21)27-16-8-15-26-20-12-7-11-19(17-20)18-9-3-2-4-10-18/h2-7,9-14,17H,8,15-16H2,1H3.
What are the key properties of methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate?
methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate has a molecular weight of 362.43 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate is sourced from PubChem (CID 57078179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).