(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one

C17H14O2 — CID 15043727

IUPAC(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one
SMILESC=C[C@H]1Oc2ccccc2C(=O)[C@H]1c1ccccc1
InChIInChI=1S/C17H14O2/c1-2-14-16(12-8-4-3-5-9-12)17(18)13-10-6-7-11-15(13)19-14/h2-11,14,16H,1H2/t14-,16+/m1/s1
InChIKeyGXCLAXJKWKVNKV-ZBFHGGJFSA-N
MW250.30 g/mol
LogP3.60
Rot. Bonds2

About (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one

(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one (PubChem CID 15043727) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one
PubChem CID15043727
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one
SMILESC=C[C@H]1Oc2ccccc2C(=O)[C@H]1c1ccccc1
InChIInChI=1S/C17H14O2/c1-2-14-16(12-8-4-3-5-9-12)17(18)13-10-6-7-11-15(13)19-14/h2-11,14,16H,1H2/t14-,16+/m1/s1
InChIKeyGXCLAXJKWKVNKV-ZBFHGGJFSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one (CID 15043727) is (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one is C=C[C@H]1Oc2ccccc2C(=O)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is GXCLAXJKWKVNKV-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H14O2/c1-2-14-16(12-8-4-3-5-9-12)17(18)13-10-6-7-11-15(13)19-14/h2-11,14,16H,1H2/t14-,16+/m1/s1.
What are the key properties of (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one?
(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 15043727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).