6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate

C19H21FO5 — CID 164525280

IUPAC6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOc1cc(=O)oc2cc(F)ccc12
InChIInChI=1S/C19H21FO5/c1-13(2)19(22)24-10-6-4-3-5-9-23-16-12-18(21)25-17-11-14(20)7-8-15(16)17/h7-8,11-12H,1,3-6,9-10H2,2H3
InChIKeyYZBPFOGKUKFSGM-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.99
Rot. Bonds9

About 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate

6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate (PubChem CID 164525280) has the molecular formula C19H21FO5 and a molecular weight of 348.37 g/mol. Its IUPAC name is 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate
PubChem CID164525280
Molecular FormulaC19H21FO5
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOc1cc(=O)oc2cc(F)ccc12
InChIInChI=1S/C19H21FO5/c1-13(2)19(22)24-10-6-4-3-5-9-23-16-12-18(21)25-17-11-14(20)7-8-15(16)17/h7-8,11-12H,1,3-6,9-10H2,2H3
InChIKeyYZBPFOGKUKFSGM-UHFFFAOYSA-N
XLogP3.99
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-oxochromen-4-yl)oxypentyl propanoate
CID 164525276
5-(2-oxochromen-4-yl)selanylpentyl 2-methylprop-2-enoate
CID 164525546
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
(7-fluoro-2-oxochromen-4-yl)methyl acetate
CID 75366699
4-(2,5-diaminophenoxy)butyl 2-methylprop-2-enoate
CID 142701175
13-(2-oxochromen-4-yl)oxytridecyl 2-methylbutanoate
CID 171454429
6-[7-(diethylamino)-2-oxochromen-4-yl]oxyhexyl 2,3-diiodo-2-methylpropanoate
CID 167118165
6-(7-methoxy-2-oxochromen-4-yl)oxyhexyl 2,3-diiodo-2-methylpropanoate
CID 164525124
4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide
CID 169095174
2-[5-octoxy-2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyethyl 2-methylprop-2-enoate
CID 155014792
S-[5-[7-(diethylamino)-2-oxochromen-4-yl]oxypentyl] propanethioate
CID 164525235
13-(2-oxochromen-4-yl)oxytridecyl 2-iodopentanoate
CID 167118216

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate?
The IUPAC name of 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate (CID 164525280) is 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCOc1cc(=O)oc2cc(F)ccc12.
What is the InChIKey of 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate?
The InChIKey is YZBPFOGKUKFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO5/c1-13(2)19(22)24-10-6-4-3-5-9-23-16-12-18(21)25-17-11-14(20)7-8-15(16)17/h7-8,11-12H,1,3-6,9-10H2,2H3.
What are the key properties of 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate?
6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate has a molecular weight of 348.37 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-2-oxochromen-4-yl)oxyhexyl 2-methylprop-2-enoate is sourced from PubChem (CID 164525280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).