2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one

C18H15FO2 — CID 114674557

IUPAC2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(C3CC3)cc2)Oc2cc(F)ccc21
InChIInChI=1S/C18H15FO2/c19-14-7-8-15-16(20)10-17(21-18(15)9-14)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,17H,1-2,10H2
InChIKeyVCMAOHPRGNHUMV-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.41
Rot. Bonds2

About 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one

2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one (PubChem CID 114674557) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
PubChem CID114674557
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(C3CC3)cc2)Oc2cc(F)ccc21
InChIInChI=1S/C18H15FO2/c19-14-7-8-15-16(20)10-17(21-18(15)9-14)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,17H,1-2,10H2
InChIKeyVCMAOHPRGNHUMV-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674698
7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674580
7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-bromo-7-fluoro-2,3-dihydrochromen-4-one
CID 172550133
2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
CID 114674627
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674866
7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673233
2-(2-bromo-4-methylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674816

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one (CID 114674557) is 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(C3CC3)cc2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is VCMAOHPRGNHUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c19-14-7-8-15-16(20)10-17(21-18(15)9-14)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,17H,1-2,10H2.
What are the key properties of 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one?
2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 282.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).