[3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate

C26H22O4 — CID 174483850

IUPAC[3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate
SMILESCCC(=O)Oc1occ(-c2cccc(OCc3ccccc3)c2)c1-c1ccccc1
InChIInChI=1S/C26H22O4/c1-2-24(27)30-26-25(20-12-7-4-8-13-20)23(18-29-26)21-14-9-15-22(16-21)28-17-19-10-5-3-6-11-19/h3-16,18H,2,17H2,1H3
InChIKeyVZWIHRCAHFWTTE-UHFFFAOYSA-N
MW398.46 g/mol
LogP6.51
Rot. Bonds7

About [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate

[3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate (PubChem CID 174483850) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate.

Molecular Properties

Compound Name[3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate
PubChem CID174483850
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name[3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate
SMILESCCC(=O)Oc1occ(-c2cccc(OCc3ccccc3)c2)c1-c1ccccc1
InChIInChI=1S/C26H22O4/c1-2-24(27)30-26-25(20-12-7-4-8-13-20)23(18-29-26)21-14-9-15-22(16-21)28-17-19-10-5-3-6-11-19/h3-16,18H,2,17H2,1H3
InChIKeyVZWIHRCAHFWTTE-UHFFFAOYSA-N
XLogP6.51
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-5-phenylmethoxyphenyl) propanoate
CID 174707426
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 171390969
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate?
The IUPAC name of [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate (CID 174483850) is [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate.
What is the SMILES notation for [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate?
The canonical SMILES for [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate is CCC(=O)Oc1occ(-c2cccc(OCc3ccccc3)c2)c1-c1ccccc1.
What is the InChIKey of [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate?
The InChIKey is VZWIHRCAHFWTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c1-2-24(27)30-26-25(20-12-7-4-8-13-20)23(18-29-26)21-14-9-15-22(16-21)28-17-19-10-5-3-6-11-19/h3-16,18H,2,17H2,1H3.
What are the key properties of [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate?
[3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate has a molecular weight of 398.46 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate is sourced from PubChem (CID 174483850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).