(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one

C16H13FO3 — CID 853029

IUPAC(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)C[C@@H](c1ccc(F)cc1)O2
InChIInChI=1S/C16H13FO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,16H,9H2,1H3/t16-/m0/s1
InChIKeyVARCHUJAXLHBPL-INIZCTEOSA-N
MW272.28 g/mol
LogP3.54
Rot. Bonds2

About (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one

(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 853029) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID853029
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)C[C@@H](c1ccc(F)cc1)O2
InChIInChI=1S/C16H13FO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,16H,9H2,1H3/t16-/m0/s1
InChIKeyVARCHUJAXLHBPL-INIZCTEOSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674030
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-(4-bromo-2-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673847
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one (CID 853029) is (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)C[C@@H](c1ccc(F)cc1)O2.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is VARCHUJAXLHBPL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,16H,9H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 272.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 853029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).