(4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one

C30H26O3 — CID 101467034

IUPAC(4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one
SMILESCCCCc1oc(-c2ccccc2)c2c1C(=O)[C@H](c1ccccc1)[C@H]2C(=O)c1ccccc1
InChIInChI=1S/C30H26O3/c1-2-3-19-23-25-27(30(33-23)22-17-11-6-12-18-22)26(28(31)21-15-9-5-10-16-21)24(29(25)32)20-13-7-4-8-14-20/h4-18,24,26H,2-3,19H2,1H3/t24-,26-/m1/s1
InChIKeyBKBPYYCJQJTTDN-AOYPEHQESA-N
MW434.54 g/mol
LogP7.24
Rot. Bonds7

About (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one

(4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one (PubChem CID 101467034) has the molecular formula C30H26O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one.

Molecular Properties

Compound Name(4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one
PubChem CID101467034
Molecular FormulaC30H26O3
Molecular Weight434.54 g/mol
Exact Mass434.19
IUPAC Name(4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one
SMILESCCCCc1oc(-c2ccccc2)c2c1C(=O)[C@H](c1ccccc1)[C@H]2C(=O)c1ccccc1
InChIInChI=1S/C30H26O3/c1-2-3-19-23-25-27(30(33-23)22-17-11-6-12-18-22)26(28(31)21-15-9-5-10-16-21)24(29(25)32)20-13-7-4-8-14-20/h4-18,24,26H,2-3,19H2,1H3/t24-,26-/m1/s1
InChIKeyBKBPYYCJQJTTDN-AOYPEHQESA-N
XLogP7.24
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one?
The IUPAC name of (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one (CID 101467034) is (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one.
What is the SMILES notation for (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one?
The canonical SMILES for (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one is CCCCc1oc(-c2ccccc2)c2c1C(=O)[C@H](c1ccccc1)[C@H]2C(=O)c1ccccc1.
What is the InChIKey of (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one?
The InChIKey is BKBPYYCJQJTTDN-AOYPEHQESA-N. The full InChI is InChI=1S/C30H26O3/c1-2-3-19-23-25-27(30(33-23)22-17-11-6-12-18-22)26(28(31)21-15-9-5-10-16-21)24(29(25)32)20-13-7-4-8-14-20/h4-18,24,26H,2-3,19H2,1H3/t24-,26-/m1/s1.
What are the key properties of (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one?
(4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one has a molecular weight of 434.54 g/mol, XLogP of 7.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-benzoyl-1-butyl-3,5-diphenyl-4,5-dihydrocyclopenta[c]furan-6-one is sourced from PubChem (CID 101467034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).