3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid

C26H24O4 — CID 10150770

IUPAC3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid
SMILESCOc1ccc(COc2ccccc2C2=C(c3cccc(C(=O)O)c3)CCC2)cc1
InChIInChI=1S/C26H24O4/c1-29-21-14-12-18(13-15-21)17-30-25-11-3-2-8-24(25)23-10-5-9-22(23)19-6-4-7-20(16-19)26(27)28/h2-4,6-8,11-16H,5,9-10,17H2,1H3,(H,27,28)
InChIKeyMPONGAQKNVUJOK-UHFFFAOYSA-N
MW400.47 g/mol
LogP6.07
Rot. Bonds7

About 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid

3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid (PubChem CID 10150770) has the molecular formula C26H24O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid
PubChem CID10150770
Molecular FormulaC26H24O4
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC Name3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid
SMILESCOc1ccc(COc2ccccc2C2=C(c3cccc(C(=O)O)c3)CCC2)cc1
InChIInChI=1S/C26H24O4/c1-29-21-14-12-18(13-15-21)17-30-25-11-3-2-8-24(25)23-10-5-9-22(23)19-6-4-7-20(16-19)26(27)28/h2-4,6-8,11-16H,5,9-10,17H2,1H3,(H,27,28)
InChIKeyMPONGAQKNVUJOK-UHFFFAOYSA-N
XLogP6.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid?
The IUPAC name of 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid (CID 10150770) is 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid.
What is the SMILES notation for 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid?
The canonical SMILES for 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid is COc1ccc(COc2ccccc2C2=C(c3cccc(C(=O)O)c3)CCC2)cc1.
What is the InChIKey of 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid?
The InChIKey is MPONGAQKNVUJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4/c1-29-21-14-12-18(13-15-21)17-30-25-11-3-2-8-24(25)23-10-5-9-22(23)19-6-4-7-20(16-19)26(27)28/h2-4,6-8,11-16H,5,9-10,17H2,1H3,(H,27,28).
What are the key properties of 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid?
3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid has a molecular weight of 400.47 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid is sourced from PubChem (CID 10150770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).