2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

C16H13FO4 — CID 114672632

IUPAC2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1cc(O)cc(F)c1)CC2=O
InChIInChI=1S/C16H13FO4/c1-20-12-2-3-13-14(19)8-15(21-16(13)7-12)9-4-10(17)6-11(18)5-9/h2-7,15,18H,8H2,1H3
InChIKeyMLNFWXYWKYKDMY-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.25
Rot. Bonds2

About 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 114672632) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID114672632
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1cc(O)cc(F)c1)CC2=O
InChIInChI=1S/C16H13FO4/c1-20-12-2-3-13-14(19)8-15(21-16(13)7-12)9-4-10(17)6-11(18)5-9/h2-7,15,18H,8H2,1H3
InChIKeyMLNFWXYWKYKDMY-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674580
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane
CID 66777697
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one (CID 114672632) is 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(c1cc(O)cc(F)c1)CC2=O.
What is the InChIKey of 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is MLNFWXYWKYKDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-20-12-2-3-13-14(19)8-15(21-16(13)7-12)9-4-10(17)6-11(18)5-9/h2-7,15,18H,8H2,1H3.
What are the key properties of 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 288.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).