2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid

C24H25FO4 — CID 90465716

IUPAC2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(OCc3cc(F)cc4c3OC3(CCCC3)C4)cc2)CC1
InChIInChI=1S/C24H25FO4/c25-19-11-16-13-24(7-1-2-8-24)29-22(16)17(12-19)15-28-20-5-3-18(4-6-20)23(9-10-23)14-21(26)27/h3-6,11-12H,1-2,7-10,13-15H2,(H,26,27)
InChIKeySPFXNLQWLWOAPE-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.16
Rot. Bonds6

About 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid

2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 90465716) has the molecular formula C24H25FO4 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid
PubChem CID90465716
Molecular FormulaC24H25FO4
Molecular Weight396.46 g/mol
Exact Mass396.17
IUPAC Name2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(OCc3cc(F)cc4c3OC3(CCCC3)C4)cc2)CC1
InChIInChI=1S/C24H25FO4/c25-19-11-16-13-24(7-1-2-8-24)29-22(16)17(12-19)15-28-20-5-3-18(4-6-20)23(9-10-23)14-21(26)27/h3-6,11-12H,1-2,7-10,13-15H2,(H,26,27)
InChIKeySPFXNLQWLWOAPE-UHFFFAOYSA-N
XLogP5.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid (CID 90465716) is 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(OCc3cc(F)cc4c3OC3(CCCC3)C4)cc2)CC1.
What is the InChIKey of 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is SPFXNLQWLWOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO4/c25-19-11-16-13-24(7-1-2-8-24)29-22(16)17(12-19)15-28-20-5-3-18(4-6-20)23(9-10-23)14-21(26)27/h3-6,11-12H,1-2,7-10,13-15H2,(H,26,27).
What are the key properties of 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid?
2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 396.46 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 90465716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).