(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one

C16H16O2 — CID 102311253

IUPAC(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one
SMILESCC(=O)C[C@@H](/C=C/c1ccccc1)c1ccoc1
InChIInChI=1S/C16H16O2/c1-13(17)11-15(16-9-10-18-12-16)8-7-14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3/b8-7+/t15-/m1/s1
InChIKeyUUPUYEKOIJXVCK-MVGZEHJDSA-N
MW240.30 g/mol
LogP4.06
Rot. Bonds5

About (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one

(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one (PubChem CID 102311253) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one.

Molecular Properties

Compound Name(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one
PubChem CID102311253
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one
SMILESCC(=O)C[C@@H](/C=C/c1ccccc1)c1ccoc1
InChIInChI=1S/C16H16O2/c1-13(17)11-15(16-9-10-18-12-16)8-7-14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3/b8-7+/t15-/m1/s1
InChIKeyUUPUYEKOIJXVCK-MVGZEHJDSA-N
XLogP4.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-3,5-diphenylpent-4-enoate
CID 15893254
(E)-1,4-diphenylhept-2-ene-1,6-dione
CID 12655089
methyl 4-[(E)-5-methoxy-5-oxo-1-phenylpent-1-en-3-yl]benzoate
CID 11221025
acetic acid;stilbene
CID 172803728
(E,4R)-4-phenyldodec-5-en-2-one
CID 11357371
2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
3-[1-(benzenesulfinyl)propyl]furan
CID 3711110
carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium
CID 67815660
2,4-dimethyl-6-phenylhexa-2,5-dienoic acid
CID 69226744
(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one
CID 10805540

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one?
The IUPAC name of (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one (CID 102311253) is (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one.
What is the SMILES notation for (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one?
The canonical SMILES for (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one is CC(=O)C[C@@H](/C=C/c1ccccc1)c1ccoc1.
What is the InChIKey of (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one?
The InChIKey is UUPUYEKOIJXVCK-MVGZEHJDSA-N. The full InChI is InChI=1S/C16H16O2/c1-13(17)11-15(16-9-10-18-12-16)8-7-14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3/b8-7+/t15-/m1/s1.
What are the key properties of (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one?
(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one has a molecular weight of 240.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one is sourced from PubChem (CID 102311253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).