[3,4-bis(phenylmethoxy)phenyl] propanoate

C23H22O4 — CID 154459368

IUPAC[3,4-bis(phenylmethoxy)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-2-23(24)27-20-13-14-21(25-16-18-9-5-3-6-10-18)22(15-20)26-17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3
InChIKeyKQSLGBUNNDLWMM-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.16
Rot. Bonds8

About [3,4-bis(phenylmethoxy)phenyl] propanoate

[3,4-bis(phenylmethoxy)phenyl] propanoate (PubChem CID 154459368) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3,4-bis(phenylmethoxy)phenyl] propanoate.

Molecular Properties

Compound Name[3,4-bis(phenylmethoxy)phenyl] propanoate
PubChem CID154459368
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name[3,4-bis(phenylmethoxy)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-2-23(24)27-20-13-14-21(25-16-18-9-5-3-6-10-18)22(15-20)26-17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3
InChIKeyKQSLGBUNNDLWMM-UHFFFAOYSA-N
XLogP5.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.16
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

3-O-[3,4-bis(phenylmethoxy)phenyl] 1-O-methyl propanedioate
CID 56957808
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
(3-hydroxy-5-phenylmethoxyphenyl) propanoate
CID 174707426
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-propanoyloxypropanoate
CID 123604883
phenyl propanoate
CID 161258381
2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
(3-amino-4-phenylmethoxyphenyl) 4-phenylbutanoate
CID 174428207
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(phenylmethoxy)phenyl] propanoate?
The IUPAC name of [3,4-bis(phenylmethoxy)phenyl] propanoate (CID 154459368) is [3,4-bis(phenylmethoxy)phenyl] propanoate.
What is the SMILES notation for [3,4-bis(phenylmethoxy)phenyl] propanoate?
The canonical SMILES for [3,4-bis(phenylmethoxy)phenyl] propanoate is CCC(=O)Oc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of [3,4-bis(phenylmethoxy)phenyl] propanoate?
The InChIKey is KQSLGBUNNDLWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-2-23(24)27-20-13-14-21(25-16-18-9-5-3-6-10-18)22(15-20)26-17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3.
What are the key properties of [3,4-bis(phenylmethoxy)phenyl] propanoate?
[3,4-bis(phenylmethoxy)phenyl] propanoate has a molecular weight of 362.43 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(phenylmethoxy)phenyl] propanoate is sourced from PubChem (CID 154459368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).